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SYVAC3-CC4 USER MANUAL - Nuclear Waste Management

1. 03 43 49 49 09 09 6 9 5 112 113 APPENDIX GEOSPHERE SORPTION INPUT DATA FILE In this appendix is an extraction from the 4CS sorption input file Only the data for Ac is shown in order to show the general format of the file SOR FXD 2011 Ju1 28 VERSION 01A GEONET SORPTION COEFFICIENT FIXED DATA FILE maximum number of nuclides 40 maximum number of elements 25 maximum number of minerals 20 maximum oxidation states 2 total of 10 coefficients for sorption retardation equations coefficients entered in order bol b02 b11 b22 b12 500 b03 b04 b05 b06 for constant KD coefficients b00 b03 and b06 are required b00 is the GM value for KD default value zero giving unit retardation b03 is the size of variation from GM KD default value zero for no variation b06 is the normalization factor to retardation factor default value unity Nuclide group HB Ac database subscript 1 Am database subscript 4 Bi database subscript 11 C database subscript 14 Ca database subscript 15 Cl database subscript 19 Cs database subscript 23 T database subscript 40 Np
2. l 1 velocity input 2 darcy velocity input 3 hydraulic conductivity and head input and l velocity calculated 4 permeability and head input both hydraulic conductivity and velocity calculated from reference water properties 5 permeability and temperature and head input both hydraulic conductivity and velocity calculated from variable water properties 6 permeability and temperature and head input both hydraulic conductivity and 1 velocity calculated from variable water properties with gravitational buoyancy term 3 amp geosphere fixed parameters for segments amp response function flags amp 1 RSMINF semi infinite b c response function amp 2 RMSTFR mass transfer b c response function amp 3 RZROCO zero concentration b c response function amp 4 pass without change no response function amp 5 MULTIC compartment model mimic a semi infinite b c amp 6 MULTIC compartment model mimic a zero concentration b c amp 4 1 10 amp 1 a 1 1 1 1 1 120 amp 1 1 1 4 1 1 1 4 1 1 130 amp 1 1 1 4 1 1 4 1 1 1 140 amp 4 1 1 1 1 1 1 T 4 150 amp 4 1 1 1 1 1 pi 1 160 amp 4 1 1 4 1 1 1 1 170 amp 1 1 1 1 1 1 pi 4 180 amp 1 4 1 1 1 1 1 1 1 190 amp 4 1 1 4 1 1 4 1 1 1100 amp 1 110
3. SV120801 PAR BEGUN 18 MAR 2011 16 28 43 Onfile Based on Median Case 01 4CS RUN NUMBER 1 ACCEPT NUMBER 1 SAMPLED AND CALCULATED PARAMETERS 1 AALPHA ALPHA DOSE DISS RATE EXPONENT 1 00000E 00 2 ABETA BETA DOSE DISS RATE EXPONENT 1 00000E 00 3 AGAMMA GAMMA DOSE DISS RATE EXPONENT 1 00000E 00 4 ALFCOF ALPHA FUEL DOSE VARY FACTOR 1 00000E 00 5 01 FUEL ALPHA DOSE RATES DATO1 1 42000E 06 GY A 6 ALPHDO 02 FUEL ALPHA DOSE RATES DATO2 1 72000E 06 GY A 7 ALPHDO 03 FUEL ALPHA DOSE RATES DATO3 1 89000E 06 GY A 8 ALPHDO 04 FUEL ALPHA DOSE RATES DATO4 1 99000E 06 GY A 9 ALPHDO 05 FUEL ALPHA DOSE RATES DATO05 2 03000 06 10 06 FUEL ALPHA DOSE RATES 2 05000 06 11 07 FUEL ALPHA DOSE RATES DATO7 2 04000E 06 GY A 12 ALPHDO 08 FUEL ALPHA DOSE RATES DATO8 2 00000E 06 GY A 13 ALPHDO 09 FUEL ALPHA DOSE RATES DATO9 1 88000E 06 GY A 14 ALPHDO 10 FUEL ALPHA DOSE RATES DAT10 1 77000E 06 GY A 15 ALPHDO 11 FUEL ALPHA DOSE RATES DAT11 1 58000E 06 GY A 16 ALPHDO 12 FUEL ALPHA DOSE RATES DAT12 1 30000E 06 GY A 17 13 FUEL ALPHA DOSE RATES DAT13 9 03000E 05 GY A 18 ALPHDO 14 FUEL ALPHA DOSE RATES DAT14 3 21000E 05 GY A 19 ALPHDO 15 FUEL ALPHA DOSE RATES DAT15 1 80000E 04 GY A 20 ALPHDO 16 FUEL ALPHA DOSE RATES DAT16 6 24000E 03 GY A 21 ALPHD
4. created by SINGEN at ipa dev singen3 2 in session T RepositorySafety FourthCaseStudy 4CSDeterministicRuns with default name AUXFILE 1 AUX 0 5 ALPHA DOSE DISS RATE EXPONENT AALPHA d d amp 0 5 BETA DOSE DISS RATE EXPONENT t amp 0 5 GAMMA DOSE DISS RATE EXPONENT T AGAMMA d amp 0 5 ALPHA FUEL DOSE VARY FACTOR ALFCOF t T amp 0 5 FUEL ALPHA DOSE RATES DATO1 ALPHDO 01 GY A amp 0 5 FUEL ALPHA DOSE RATES DATO2 ALPHDO 02 GY A amp 0 5 FUEL ALPHA DOSE RATES DATO3 ALPHDO 03 j GY A d amp 0 5 FUEL ALPHA DOSE RATES DATO4 ALPHDO 04 d GY A i ET amp 0 5 GAMMA BUNDLE CONTAINER FACTOR GAMCOF d amp 0 5 GEFF VALUE FOR ALPHA RADIATION GEFFA d MOL M 2 GY amp 0 5 GEFF VALUE FOR BETA AND GAMMA GEFFBG d MOL M 2 GY amp 0 903 0 5 INSTANT CONT FAIL QUANT SECO1 01 5 amp 0 911 0 5 INSTANT CONT FAIL QUANT SECO2 02 i amp 0 916 0 5 INSTANT CONT FAIL QUANT SECO3 03 amp 0 911 0 5 INSTANT CONT FAIL QUANT SECO4 04 I amp 0 897 10 5 INSTANT CONT FAIL QUANT SECO5 05 amp 0 872 0 5 INSTANT CONT FAIL QUANT SECO6 06 i amp 0 886 0 5 INSTANT CONT FAIL QUANT SECO7 07 amp 0 893 0 5
5. AM241AFUEL 0 0000D 00 at 1 0000D 07 RN222AFUEL 0 0000D 00 at 1 0000D CA 41 FUEL 3 4347D 14 at 8 0000D 05 NP237AFUEL 0 0000D 00 at 1 0000D 07 PB210AFUEL 0 0000D 00 at 1 0000D CL 36 FUEL 1 3942D 10 at 5 6836D 05 PA2 33AFUEL 0 0000D 00 at 1 0000D 07 BI210AFUEL 0 0000D 00 at 1 0000D CS135 FUEL 4 0934D 14 at 1 0000D 07 233AFUEL 0 0000D 00 at 1 0000D 07 PO210AFUEL 0 0000D 00 at 1 0000D I 129 FUEL 9 7069D 08 at 1 1045D 06 TH229AFUEL 0 0000D 00 at 1 0000D 07 PU2 3 9AFUEL 0 0000D 00 at 1 0000D SE 79 FUEL 9 8177D 14 at 3 8555D 06 RA225AFUEL 0 0000D 00 at 1 0000D 07 U 235AFUEL 0 0000D 00 at 1 0000D TC 99 FUEL 0 0000D 00 at 1 0000D 07 MAXIMUM ELEMENT CONCENTRATIONS ELEMENT WELL WATER mol m3 TIME LAKE WATER mol m3 TIME a AC 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 A 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 BI 1 4980D 18 1 6177D 06 2 3656D 23 1 6109D 06 1 6112D 20 9 2778D 04 2 5436D 25 9 2812D 04 CA 3 8393D 16 8 0000D 05 6 0687D 21 8 0000D 05 CL 1 7175D 12 5 6836D 05 2 7143D 17 5 6750D 05 CS 9 2986D 16 1 0000D 07 1 4688D 20 1 0000D 07 I 6 8914D 10 1 1045D 06 1 0877D 14 1 1045D 06 NP 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 PA 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 PB 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 PO 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 PU 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 RA 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 RN 0 0000D 00
6. 71 Table 6 17 Geosphere Biosphere Interface Input Parameters INP File 71 Table 6 18 Water Property Input Parameters INP File 72 Table 6 19 Geosphere and Biosphere States Input Parameters INP File 72 Table 6 20 Surface Water Input Parameters INP 72 Table 6 21 Soil and Lake Sediment Input Parameters INP 73 Table 6 22 Atmosphere Input Parameters INP 74 Table 6 23 Biosphere Conversion and Yield Input Parameters INP File 75 Table 6 24 Reference Human Group Lifestyle Input Parameters INP File 75 Table 6 25 Human Ingestion Inhalation Conversion Factor Input Parameters INP File 76 Table 6 26 Animal Ingestion Inhalation Conversion Factor Input Parameters INP File 76 Table 6 27 Input Parameters for Determination of Doses from Plants INP File 77 Table 6 28 Occupancy Factor Input Parameters INP 77 Table 6 29 Holdup Time Input Parameters INP 78 Table 6 30 Human Dose Coefficient Input Parameters INP 78 Table 6 31 Conversion Factors f
7. 103 APPENDIX D NUCLIDE SOLUBILITY INPUT 22222 105 APPENDIX E GEOSPHERE NETWORK INPUT DATA 2 107 APPENDIX GEOSPHERE SORPTION INPUT DATA 113 APPENDIX SYVAC3 CCA PAR FILE eese nennen nnne nennen nnn 115 APPENDIX SYVAC3 CCA DOS FILE 4 240 00 1 nnn nennen 117 APPENDIX SYVAGC3 CCA CEPT FILE ciini rni nt riis 121 APPENDIX J PROGRAMMER GUIDE essen 125 APPENDIX INSTALLATION OF 131 APPENDIX L FRAC3DVS Input iei Lei traten iac rin Fm de Ri eio Fani ni 139 LIST TABLES Page Table 1 1 Comparison of Selected Features of the EIS Second and Third Case Studies 4 Table 5 1 Input Files for SYVAC3 CCA Simulation 43 Table 5 2 Simulation Control Information INP 44 Table 5 3 Time Series Control Information INP File 45 Table 5 4 Example Sampling Method Layout for INP File Note that all sampling methods need not be used in any given 0 004420 48 Table 5 5 Output Files for 4 53 Table 6 1 Used Fuel Input Parameters INP 60 Table 6 2 Alpha Radio
8. 19 Concentrations in 19 Deposition to Soil and 19 Internal and External Radiation Exposure for 19 Internal and External Radiation Exposure for Nonhuman Biota 19 GLACIATION SCENARIO nu 20 Glaciation Scenario in the 00 20 Glaciation Scenario in the 20 Cross reference indices from periods to states 20 OTHER RESTRICTIONS AND 85 21 Numerical 5 1 21 Numerical 21 DEFAULT PARAMETERS 5rd abad ona do adque dn nada Eau aad 21 Fixed Parameters 21 Maximum Array Dimensions sx eal wee decentes 23 EXECUTION OF cccccteeccwcccuticncecanvtneccatvennsteeveweccuttenceceattnecunttuuces 25 NORMAL RUN e 25 RESTART PROCEDURE bnc in 25 ERROR AND WARNING 565 8
9. 55 6 1 4 Buffer Backfill Sorption Parameters 55 6 1 5 Solubility Parameters 55 6 1 6 Vault Transport Parameters 55 6 2 GEOSPHERE INPUT 8 56 6 2 1 Segment Dependent Paramelters ederet dne nuin porn c dup dann 56 6 2 2 Node Dependent Parameters 56 6 2 3 Well Parameters 56 6 2 4 Geosphere 2 0 410102000000 600000 56 6 2 5 Geosphere Sorption Parameters 56 6 2 6 Chemical Property Dependent 56 6 2 7 Geosphere Biosphere Interface 56 6 2 8 Water 56 6 2 9 Glaciation State Parameters 56 6 3 BIOSPHERE INPUT PARAMETERS 12 oec ritu erect n rotor itae ni 57 6 3 1 Surface Water Parameters nennen nennen 57 6 3 2 de atris 57 6 3 3 Atmosphere teet 57 6 3 4 Concentrations in Plants and Animals eese 57 6 3 5 Radiation Exposure fo
10. 84 Vault Consequence Output Parameters esses 84 Geosphere Consequence Output Parameters 85 Maximum Total Dose to 85 Maximum Nuclide Dose to 86 Integrated Nuclide Dose to iiti ta weed aie Code que dx du Ed 86 Maximum Total Dose Rate to Non Human 87 Maximum Nuclide Dose Rates to Non Human Biota 88 Concentration and Mass Accumulation Output Parameters 89 Maximum Activity in Food chain Output 90 Maximum Activity in Food chain Output Parameters concluded 91 Biosphere Water Source Output Parameters 2 92 Biosphere Warning Output Parameters 0404004 22 93 Mass Accumulation and Distribution Parameters 94 LIST OF FIGURES Page Emplacement Room Model Geometry 1 sce cece leet c 9 Example Schematic of the Geosphere 11 Conceptual Landscape of the Second Case Study Biosphere 18 1 INTRODUCTION 1 1 BRIEF OVERVIEW OF CC4 MODEL CC4 Canadian Concept version 4 is a system model for the release
11. DEFINITION FEATURES CAPABILITIES AND LIMITATIONS INTRODUCTION oret EE PREDICTED VARIABLES da ENDE Ru D peu WASTEFORM AND CONTAINER 4 4 2 22222222 2 Geomellys CIL Decay Dm Container Eall re iere FR vn eee rna ee eee nva melo od va PEE nt d Wasteform Degradation and Nuclide Release PLecipitation xe EE E EEEE Release from Gofntalher s ENGINEERED BARRIERS dette ace sud Goud ates Mae eh Groundwater Flow Through Vault etre eere ee reor hes e genius Transport Through Buffer Backfill and 2 2 50 MEE CLE 10 Decay C Ls 10 Sesaturation see i O 10 10 Geosphere Groundwater Flow 10 Geosphere Transport 10 Suiperpositionvol Wells 12 Drawdowns the Aquifer due to 12 Maximum Well Capacity eR 13 Plum
12. 26 WARNING MESSAGES orc cet eni rk eub era chu eL 27 ERROR MESSAGES 25 nr etie ins abe alesis SE x eats aide els 32 SYVAC3 CC4 INPUT AND OUTPUT 8 22221 1 42 INPUT FILE DESCRIP TIO N io aon Enn anaana n caa Gd annu ona san 42 Main IA put gil 42 Simulation Control 2 rear ae rea Ee EE Ee RH anette 44 Time Series Controls 45 INGLUDE File eed hr elect eter lc re he lere hace 46 Sampling WSU OAS esses seas eret e deett edet tate se uode cared aed dup deu qut ute gees 46 gil et 47 Fixed Files d b e ed a d n Pe o ER eR Rer eR 48 OUTPUT FILE DESCRIPTION 50 Time Series 50 Parameter File RAS oo actis ese LE DeL 51 DOSE File ido di rici aee enue e eset t 51 Compressed Output File OUT aceon areas te Speo a an iine tae 52 System Output File LPT 52 INDEX OF CC4 INPUT AND 54 VAULT INPUT PARAMETERS 54 UO Dissolution Rate 54 ix 6 1 2 Engineered System and Failed Container Parameters 54 6 1 3 Radionuclide
13. MOL KG T amp 0 5 INSTANT RELEASE FRAC DUMN1 1 IRFRAV 040 d 104 E 02 E 01 P4 P4 P4 P4 P4 P4 P4 P4 P4 P4 P4 U n 0 4 0 P4 P4 P4 P4 P4 P4 P4 P4 P4 P4 P4 P4 P4 P4 P4 PA 0 OO ORO OGOOGO CO QOO QD QO COD OD OD QC OQ QD QD QO O QO QO P2 P2 QC CO UI QO QO UI Q0 OY N F2 RI RY m m m mmm m m 105 APPENDIX D NUCLIDE SOLUBILITY INPUT DATA FILE This appendix is an extraction from the 4CS element solubility file In order to minimize the size of this document the uranium information has been show in full but all other elements have been removed IRL first reference ionic strength IR2 second reference ionic strength 01 01 carbonate index Uranium 002 2 01 02 carbonate index Uranium 002 01 03 carbonate index Uranium UO2 OH 01 04 carbonate index Uranium UO2 3 0OH 7 01 05 carbonate index Uranium 002 2 01 06 carbonate index Uranium UO2 OH 4 2 01 07 carbonate
14. VQINP ONF is the name of a Standard Text File containing values of parameters Dependent parameters The second set of consequence variables is joined together internally with the first End of sampling methods The fixed data input files contain data that are specific to a model such as the vault or geosphere in SYVAC3 CC4 In general these values do not change from simulation to simulation For example the fixed file input file for the vault solubility calculations are read in once during a simulation run even if multiple simulations are done within the same run The fixed files for SYVAC3 CC4 are the vault solubility file SOLnn FXD the geosphere network file NETnn FXD the geosphere sorption file SORnn FXD and optionally the FRAC3DVS control input file F3Dnn FXD and FRAC3DVS data files xxx nn FXD Table 5 1 49 Vault Solubility File The vault nuclide solubility input data file contains data used to calculate nuclide solubility characteristics for U Th Pu Tc Np The format of a typical input file is shown in Appendix D The solubility data file is read by the vault source code The file contains 12 parameters which must be in a specific order Parameters IR1 and IR2 require on data entry each Parameters IR1 and IR2 define ionic strengths The remaining 10 parameters P4 P5 P6 P7 P8 P9 P10 P2VLT P3 and MNUM are element and species dependent Each of these parameters define the number of
15. Message for information only This message tells the user which discharge location number is associated with each the FRAC3DVS slice label GW VELOCITIES ARE INPUT WITH A WELL PRESENT WELL OPERATION BASED ON VELOCITY IN SEGMENT wellSegment AND THE TRANSPORT CALCULATIONS WILL INCONSISTENT ADDWEL Warning to user that geosphere transport calculations and the well operations of capture fraction surface water flow etc cannot be done consistently under these conditions INCREASE MAXLOC BY 1 FOR FIELD WITHOUT DISCHARGE FOR BIOSPHERE GLACIATION STATE StateNumber FLDARE Increase the value of MAXLOC in MAXLOC INC by at least one and recompile the source code to accommodate an extra field without a discharge INSUFFICIENT ROOM TO STORE FRAC3DVS DATA REMAINDER IGNORED REAF3D There is more FRAC3DVS data then can be stored in the arrays to generate the time series Either reduce the data or increase the array size parameter MXF3DT and re compile and re link INSUFFICIENT ROOM TO STORE NEXT CONSEQUENCE PREVIOUS RESULT Label DROPPED AND WRITTEN HERE TimeOfMaxFlow MaxFlow IntegratedFlow GNETCQ More geosphere consequences are requested in the NET FXD input file than space allocated in the model code The consequences dropped will not be available in the PAR or OUT files but will written to the LPT file Reduce the number of consequences requested in the geosphere NET FXD file or the number of nuclides in the chains list in the main
16. 10010 100 000 10 To show 20 orders of magnitude in values use a Value Smoothing Coefficient of 0 025 Smaller values may cause numerical problems 5 1 4 INCLUDE File List The next section of the input file contains a list of all the SP sampled parameter DP dependent parameter and CQ INC consequence parameter INCLUDE files one file name to a logical record The number of INCLUDE files depends on the model and so this section of the file is fixed for a given version of SYVAC3 CC4 The maximum number of common blocks that can be defined in INCLUDE files is 500 MXCOM in SYVAC3 A record containing just the field END marks the end of this section SYVAC3 reads these files to find out where to get and store model variables in model common blocks A file can contain declarations for more than one common block 5 1 5 Sampling Methods Four types of variables are shared between SYVAC3 and CCA and three of them are listed in the input file sampled parameters dependent parameters and consequences The fourth type of variable Time Series appears in the output files The three variable types listed in the SYVACS3 input file can appear any order and can be broken up into multiple groups The total number of sampling methods including the dependent and consequence types is limited to MXSMTH 1000 in SYVAC3 In each simulation each sampled parameter takes a value sampled from a probability distribution provided by the inp
17. 6 stream aqua amp 5 NO 7 stream FRAC3DVS Data File Format The following is an example of the contents of a file named F3D xxx nn FXD where xxx run id and the unique file name id If the abouve control file was used for I 129 the file name would be F3D TEST1 01 FXD Note the file has been shortened to give an example of the fields in each line All lines except for the first two start with a string label identifying the FRAC3DVS slice label Each data line appears on two lines due to word wrapping Concentra slice sp time average conc lak 1 1000 00000 0 174841524E 288 0 87420762 1000 00000 0 00000000 0 00000000 T 1000 00000 0 00000000 0 00000000 lak 1 2000 00000 0 524524607E 288 0 43710382 2000 00000 0 00000000 0 00000000 Str T 2000 00000 0 00000000 0 00000000 lak 1 4000 00000 0 450679450E 278 0 45067945 4000 00000 0 00000000 0 00000000 4000 00000 0 00000000 0 00000000 lak 0 315576000E 014 0 964350370E 016 0 69869527 riv 1 0 315576000E 014 0 148751605E 015 0 18778500 str 1 0 315576000E 014 0 265383798E 025 0 22941962 140 tion and mass flux crossing slice ou tput nodes advective dispersiv 0 220171327 290 1 286 0 874207621 0 00000000 0 00000000 0 00000000 0 00000000 0 660514024 290 0 8 285 0 349683065 0 00000000 0 00000000 0 00000000 0 00000000 0 113499204 279 0 0 275 0 450679450 0
18. ALFCOF uncertainty factor in alpha dose rate to used fuel scalar SPALPH ALPHDO values of alpha dose rate to the surface of used MXUDOS SPALPH fuel Gy a ALPHTI time values for alpha dose rate to the surface of MKUDOS SPALPH used fuel a GALPHA rate constant for fuel dissolution due to alpha scalar SPALPH radiolysis mol m Gy NOALPH number of entries in alpha dose time series scalar SPALPH Table 6 3 Beta and Gamma Radiolysis Input Parameters INP File Parameter Definition Units Dimension Common Block ABETA exponent for dependence of fuel dissolution rate scalar SPBETA on the beta radiolysis dose rate AGAMMA exponent for dependence of fuel dissolution rate scalar SPGAMA on the gamma radiolysis dose rate BETADO values of beta dose rate to the surface of used MXUDOS SPBETA fuel Gy a BETATI time values for beta dose rate to the surface of MXUDOS SPBETA used fuel a BETCOF uncertainty factor in beta dose rate to used fuel scalar SPBETA GAMADO values of gamma dose rate to the surface of MXUDOS SPGAMA used fuel Gy a GAMATI time values for gamma dose rate to the surface MXUDOS SPGAMA of used fuel a GAMCOF Ratio of gamma dose rate in container to dose scalar SPGAMA rate at surface of a single used fuel bundle GBETG rate constant for fuel dissoluton due to beta or scalar SPBEGA gamma radiolysis mol m Gy NOBETA number of entries in beta dose time series scalar SPBETA NOGAMA number of entr
19. During the construction of a new Time Series the Time Series Package may call a user routine many times Since the user routine is called directly by the Time Series Package it must have a standard interface that is defined in the SYVAC3 Manual Andres 2000 The SV311 source code directories also contains templates for user routines in the IFCODE InterFace area A user routine defines some system submodel function of time It must be able to provide both appropriate time point estimates as well as accurate values of the function at any given time point The time point estimates should be close to the local extrema of the time function in order to ensure that the Time Series Package does not overlook any important features of the function 127 SYVAC3 stores Time Series as a large collection of Time Series objects A system model accesses stored Time Series via a numerical index called a handle Even with a large array dimension some large models run out of storage space Since the Time Series Package has no way of knowing which old Time Series are no longer needed it simply deletes the oldest time series first in order to make room for new ones J 5 ASSIGNING VALUES TO DEPENDENT PARAMETERS DEPPAR After reading the input file and setting up the general variable arrays and common blocks SYVAC3 calls a system model FORTRAN routine called DEPPAR FOR The primary function of DEPPAR is to calculate the values of dependent parameters befor
20. K 2 CREATION OF EXECUTABLE FOR WINDOWS There are many ways to create a correct version of the SYVAC3 CC4 executable file This manual will only discuss two methods referred to as Code Accumulation and Search List respectively The following description applies to creating an executable using the Compaq Visual FORTRAN Professional Edition Version 6 6 and Version 11 1 running under Windows Whichever method is used the resulting executable should be installed under configuration management in the user s software system and verified against appropriate reference runs Code Accumulation The first task in creating an executable when using Code Accumulation is to collect all required source code into one directory This must be done in the correct order so that the correct version of each code is used In particular some SYVAC3 INCLUDE files are overwritten by CC4 versions that for example change default SYVAC3 array dimensions to values appropriate for CC4 The recommended order for copying in all FOR and INC files is as follows e SV312 copy in order ECcode FRcode PScode SVcode and TScode e ML303 copy in order ARcode Flcode Slcode and e 408 copy in order SLATEC BTcode DOcode GTcode F3code VTcode and CCcode Next the code must be compiled and linked The Compaq or Intel Visual FORTRAN User Guide has complete documentation on compiling and linking a simple project with all files in one directory No change
21. MORE THAN ONE WELL IN NETWORK NOT ALLOWED ADDWEL Check that there is only one well in the list of discharge locations specified geophere network file NET FXD COULD NOT BE OPENED GETNET The geosphere network datafile NET FXD could not be opened The run is stopped Check the name location and protection of the network file NETWORK MAY BE CIRCULAR NO CALCULATION ORDER CAN BE DETERMINED NETORD There is likely a problem with the net connectivity tables in the NET FXD file The run is stopped NO RESPONSE FUNCTION NO Number SIMGEO There is an error in the geosphere network NET FXD file The run is stopped Response function indicator found in the network file is not supported Valid values are 1 2 3 4 5 or 6 Correct the information in the network file NO SEGMENT FOUND WITH OUTLET NODE NodeNumber FRFFOB There is an error in the geosphere network NET FXD file The run is stopped A node in the network leading back from a discharge node to the biosphere of type AQUA TERR or BOG was not found as an outlet node for a segment Correct the segment and node information in the network file NO TIMES IN THE TALBOT INTERVAL RESPCY No result for an attempted calculation of an inverse Laplace transform The user should not see this message It indicates a programming error The run is stopped Consult the code owner NODE NodeNumber NOT FOUND AS DISCHARGE NODE OR AS INLET TO ANOTHER SEGMENT CANNOT FIND DISCHARGE
22. NETDEP The geosphere network data file NET FXD was opened successfully but the data set was not as expected The run is stopped Check the format and content of the data in the NET FXD file DATA NOT SUCCESSFULLY READ FROM FILE SOL FXD SOLDEP The solubility data file SOL FXD was opened successfully but the data set was not as expected The run is stopped Check the format and content of the data in the SOL FXD file DATA NOT SUCCESSFULLY READ FROM FILE SOR FXD GEODEP The sorption data file SOR FXD was opened successfully but the data set was not as expected The run is stopped Check the format and content of the data in the SOR FXD file DAUGHTER RN222 IS BEING USED WITHOUT PARENT RA226 SIMATT If radionuclide RN222 is simulated then its parent RA226 must also be simulated in order to determine transport of terrestrial contributions to the atmosphere for RN222 The run is stopped Correct the list of radionuclide chains being simulated DISCHARGE NODE NOT FOUND AS SEGMENT OUTLET NODE ADDOSS There is an error in the geosphere network NET FXD file The run is stopped A node indicated to be a discharge node to the biosphere was not found as an outlet node for a segment Correct the segment and node information in the geosphere network NET FXD file FAILED READING FIXED NETWORK DATA GETNET Failed reading data from fixed geoshpere network file Check the format of the network file FIRST NUCLIDE IN CHA
23. SKIP FILE MDNAA10 001 COULD NOT BE OPENED cf o Warning and error messages generated by the CC4 model are listed in the following sections The information about the originating module is appended to end of the actual message to ensure the uniqueness of the message and for potential use by programmers or designers In the LPT file this information appears on the previous line as shown in the examples above 4 1 WARNING MESSAGES ANGLE OF DISPOSAL ROOMS TO GEOSPHERE X AXIS IS LARGER THAN 180 DEG VLGDEP The sampled parameter RMANGL is larger than 180 The calculations continue normally ATTEMPT TO STORE TOO MANY TIME SERIES THE LIMIT MaxNumberofTimeSeries CAN BE RAISED BY CHANGING MAXNTS INC STORTS The sampled parameter MAXNTS is larger than 3000000 The calculations will continue normally but some information may be lost The user can increase MAXNTS and recompile BEGINNING SIMULATION SIMLAT Message for information only It allows the user to monitor the progress of a run with many simulations CALCULATION ORDER DETERMINED VECTOR SIZE IS NumberNodes NETORD Indication that geosphere node calculation order was determined successfully and the number of nodes in the calculation set The list of nodes in calculation order is given in the DOS file DISCHARGE LOCATION INDEX FOR FRACSDVSSIiceLabel TOO SMALL OR TOO LARGE FOR NETWORK DATA NOT USED GETF3D The discharge location in
24. additive and diverge diverging fractions defined in the input file or calculated as a result of changing operation of the well The positions of nodes in the geosphere are represented in Cartesian coordinates defined in the main input file relative to an arbitrary origin with the positive z direction as vertical The connectivity of the nodes defines the positions of transport segments The order of node calculations is automatically determined based on information in the geopshere network file The characteristics of each transport segment that are input are equivalent porosity tortuosity and mineral composition segment average values It is possible to define the groundwater flow by specifying either hydraulic head and permeability or hydraulic conductivity data or by specifying groundwater flow rates directly 2 5 3 Superposition of Well A groundwater supply well can be defined in the geosphere transport network by a set of nine nodes nodes in models where a well is specified Two of the nodes are reference nodes which may or may not be a part of the transport network and which define the orientation and position of the central groundwater flow line to the well The other nodes are part of the transport network One node the well discharge node is located at the ground surface and the other nodes are located in the aquifer from which the well draws its water One of these nodes is the actual well node in the aquifer the other t
25. amp 4 1 4 1 1120 amp 4 1 1130 amp 1 4 1140 amp 4 1 Bi 1 1 1 1 1 1150 amp 1 BA 4 4 4 4 4 4 4 1160 amp 4 4 0 0 0 0 0 0 0 0 1170 amp 0 0 0 0 0 0 0 0 0 0 1180 amp 0 0 0 0 0 0 0 0 0 0 1190 amp 0 0 0 0 0 0 0 0 0 0 1200 8 chemical property class amp 2 2 2 4 6 5 5 D 20 2 10 RY gm m mmm 3 2 2 2 4 2 3 4 2 3 20 2 2 2 16 10 2 20 2 3 20 2 20 2 2 10 16 9 2 3 20 2 LO 16 2 16 10 20 2 2 20 2 10 2 2 10 16 9 16 2 3 20 2 4 5 2 4 20 2 3 20 2 3 10 2 10 16 9 16 10 16 10 20 2 4 5 20 10 16 2 2 4 4 6 15 14 15 2 4 2 4 20 3 7 8 3 7 8 5 7 8 20 20 20 20 20 20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 physical property class 2 2 2 4 6 5 5 3 2 2 2 4 2 3 4 2 3 20 2 2 2 16 10 2 20 2 3 20 2 20 2 2 10 16 9 2 3 20 2 10 16 2 16 10 20 2 2 20 2 10 2 2 10 16 9 16 2 3 20 2 4 5 2 4 20 22 3 20 2 3 10 2 10 16 9 16 10 16 10 20 2 4 5 20 10 16 2 2 4 4 6 15 150 2 4 2 4 20 3 x 8 3 7 8 5 7 8 20 20 20 20 20 20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 node index number for node at 1 2 3 4 5 6 134 8 IO 11 22 13 I45 14 18 14619 20 21 22 23 26 27 28 29 14730 31 35 36 33 37 38 39 40 148 44 45 46 149 48 49 53 54 55 47 56 57 150 61 62 63 64 65 66 67 60 71 72 73 74 Toc Wd 81 82 15183 84 85 86 90 91 92
26. number of chemical elements or increase MXCHEM re compile and re link 40 TOO MANY MATRIX MATERIALS Number IN INVENTORY LIST LAST MATRIX IS MatrixName CHAINS The number of matrix materials in the inventory list is greater than MXMTRX Reduce the number of matrix materials or increase MXMTRX re compile and re link TOO MANY NUCLIDES Number IN CHAIN LAST NUCLIDE IS NuclideName CHAINS The number of nuclides in the chain is greater than MAXLCH Reduce the number of nuclides or increase MAXLCH re compile and re link TOO MANY NUCLIDES Number IN INPUT LAST NUCLIDE IS NuclideName CHAINS The number of nuclides in the input is greater than MXSPEC Reduce the number of nuclides or increase MXSPEC re compile and re link TOO MANY NUCLIDES Number IN INVENTORY LIST LAST NUCLIDE IS NuclideName CHAINS The number of nuclides in the inventory list is greater than MXSPEC Reduce the number of nuclides or increase MXSPEC re compile and re link TOPHAT FUNCTION FAILURE WITH TIMES LowTime HighTime AND HEIGHT Value THATTS The user should not see this message It indicates a programming error The simulation is stopped Consult the code owner TRUNCATED NUCLIDE NAME NuclideName THAT WAS TOO LONG CHAINS The number of characters in a nuclide name is longer than the maximum length MXNIDL UNIDENTIFIABLE CALL TYPE CALTYP SHOULD BE TIMES OR VALUES may be reported from many modules The user should not see this messag
27. with a half life less than MNHLIF are not simulated INVPKG initial nuclide inventories mol kg MXSPEC SPINVT IRFRAV instant release fraction for each nuclide MXSPEC SPIRFR 63 Table 6 6 Buffer Backfill Sorption Input Parameters INP File Parameter Definition Units Dimension Block CAPBFE element capacity factors in buffer MXCHEM SPCAPF CAPBKE element capacity factors in backfill MXCHEM SPCAPF Table 6 7 Solubility Fixed Input Parameters SOL FXD File Parameter Definition Units Dimension Common Block IR1 first reference ionic strength Scalar FPRION IR2 second reference ionic strength scala FPRION MNUM number of metal atoms in reaction jiu FPMNUM P2VLT pH solubility parameter FPSOLP P3 Eh solubility parameter FPSOLP P4 carbonate index M E FPINIX P5 HPO index MERE FPINIX P6 sulphate index 4 P7 chloride index Mrd FPINIX P8 fluoride index 4 foc MAXELM P9 first organic index MAXSPE FPORIX P10 second organic index FPORIX MAXSPE Parameter CCARBT COL1 COL2 CFTOT CPTOT CCACL2 CNACL CNASUL ETCA ETCB EUO3A EU03B KCASLR KCASLS KP2S KS1S KP2R KS1R KS2R KSCR KSFR KSPR KS2S KSCS KSFS KSPS KWS KWR 64 Table 6 8 Solubility Input Parameters INP File Code Description Units Dimension total solution carbonate scalar organic ligand 1 conc
28. 0 0 0 0 0 0 0 1180 0 0 0 0 0 0 0 0 0 0 1190 0 0 0 0 0 0 0 0 0 0 1200 lists of nodes list of source nodes last entry zero 10 15 21 32 46 59 77 85 88 110 73 203 207 0 0 0 0 0 0 0 120 0 0 0 0 0 0 0 0 0 0 130 0 0 0 0 0 0 0 0 0 0 140 0 0 0 0 0 0 0 0 0 0 150 list of vault sector numbers connected to source nodes 1 2 3 4 5 6 y 8 9 10 110 11 12 13 0 0 0 0 0 0 0 120 0 0 0 0 0 0 0 0 0 0 130 0 0 0 0 0 0 0 0 0 0 140 amp 0 0 0 0 0 0 0 0 0 0 150 amp number for vault release types amp 1 AQUA aqueous release Q D gaseous release 110 amp 2 S amp 1 1 1 1 1 1 1 T 1 16 110 amp T aL 1 0 0 0 0 0 0 0 120 amp 0 0 0 0 0 0 0 0 0 0 130 amp 0 0 0 0 0 0 0 0 0 0 140 amp 0 0 0 0 0 0 0 0 0 0 150 amp list of nodes in well aquifer amp 5 6 y 135 134 0 0 0 0 0 10 amp 0 0 0 0 0 0 0 0 0 0 120 amp 0 0 0 0 0 0 0 0 0 0 130 amp 0 0 0 0 0 0 0 0 0 0 140 amp 0 0 0 0 0 0 0 0 0 0 150 amp 0 0 0 0 0 0 0 0 0 0 160 amp 0 0 0 0 0 0 0 0 0 0 170 amp 0 0 0 0 0 0 0 0 0 0 180 amp 0 0 0 0 0 0 0 0 0 0 190 amp 0 0 0 0 0 0 0 0 0 0 1100 amp 0 0 0 0 0 0 0 0 0 0 110 amp 0 0 0 0 0 0 0 0 0 0 1120 amp 0 0 0 0 0 0 0 0 0 0 1130 amp 0 0 0 0 0 0 0 0 0 0 1140 amp 0 0 0 0 0 0 0 0 0 0 1150 amp 0 0 0 0 0 0 0 0 0 0 1160 amp 0 0 0 0 0 0 0 0 0 0 1170 amp 0 0 0 0 0 0 0 0 0 0 1180 amp 0 0 0 0 0 0 0 0 0 0 1190 amp 0 0 0 0 0 0 0 0 0 0 1200 amp list of nonaquifer no
29. 1 0000D 07 0 0000D 00 1 0000D 07 SE 2 2727D 16 3 8803D 06 3 5875D 21 3 8555D 06 TC 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 TH 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 U 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 DU 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 ELEMENT SOIL mol kg TIME a LAKE SEDIMENT mol kg TIME a AC 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 A 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 BI 1 0669D 19 1 6171D 06 0 0000D 00 1 0000D 07 C 7 7893 25 9 2500D 04 0 0000D 00 1 0000D 07 CA 1 3868D 18 8 0000D 05 0 0000D 00 1 0000D 07 CL 2 0414D 16 5 6750D 05 0 0000D 00 1 0000D 07 CS 1 7904D 16 1 0000D 07 0 0000D 00 1 0000D 07 I 3 3549D 12 1 1045D 06 0 0000D 00 1 0000D 07 NP 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 PA 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 PB 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 PO 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 PU 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 RA 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 RN 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 SE 4 0038D 18 3 8555D 06 0 0000D 00 1 0000D 07 TC 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 TH 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 U 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 DU 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 ELEMENT INDOOR AIR mol m3 TIME a OUTDOOR AIR mol m3 TIME a AC 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 A 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 BI 4 3914D 24 1 6177D 06 6 2967D 27 1 6190
30. 6 16 6 2 7 Geosphere Biosphere Interface Parameters The input parameters that define the discharge zones from the geosphere to the biosphere are listed in Table 6 17 Each discharge zone may have an overburden and then a sediment or saturated soil layer between the bedrock and the surface discharge point 6 2 8 Water Properties Input parameters that define the properties of water are listed in Table 6 18 6 2 9 Glaciation State Parameters Input parameters associated with glaciation are listed in Table 6 19 57 6 3 BIOSPHERE INPUT PARAMETERS 6 3 1 Surface Water Parameters The parameters that describe the surface waters i e lake precipitation are listed in Table 6 20 6 3 2 Soil The soil and lake sediment model parameters are listed in Table 6 21 6 3 3 Atmosphere The parameters used in the atmosphere model for transport in the biosphere model are listed in Table 6 22 6 3 4 Concentrations in Plants and Animals The parameters used to determine the concentrations in plants and animals in the biosphere model transport model are listed in Table 6 23 6 3 5 Radiation Exposure for Reference Humans and Animals The parameters used to determine the radiation exposure to the reference human group and reference biota include uptake or exposure rates hold up times occupancy rates and pathway specific parameters The input parameters that provide this information have been grouped into relevant tables as detailed below
31. A valid value for the hydraulic conductivity for the listed segment is required but an invalid value of less than 1 0E 30 was found The run is stopped Supply or correct the value for sampled parameter SGHYCO for the indicated segment SUPPLY AQUIFER POROSITY IN SGPROS FOR PROPERTY CLASS PropertyClass ADDWEL A valid value for the porosity for the listed segment is required but an invalid value of less than 1 0E 30 was found The run is stopped Supply or correct the value for sampled parameter SGPROS for the indicated segment SUPPLY NON ZERO TRANSFER LENGTH IN SGTFRL FOR SEGMENT SegmentNumber SIMGEO When using the mass transfer response function a valid value for the transfer length for the segment must be supplied but an invalid value of less than 1 0E 30 was found The run is stopped Supply or correct the value for sampled parameter SGTFRL for the indicated segment TEMPERATURE TOO SMALL FOR DIFFUSION COEFFICIENT ADJUSTMENT DIFFUS The temperature being used in this function is less than MINPOS Check temperatures used in the main input file TEMPERATURE TOO SMALL FOR VISCOSITY DETERMINATION VISCOS If temperature is less or equal to 0 the warning is issued and the value of water viscosity VISCOS is assigned a zero The program will crash if it uses a ground water velocity indicator GWVFID 5 or 6 as it will result in division by 0 in the equation for calculation of hydraulic conductivity for segment ADDWEL GWVDEP
32. Also DIFFUS will equal 0 which will lead to divide by 0 error in MATDEP RESPCY and HOLCON THE NUMBER OF FLOWS IN Number FOR Compartment ACCMSS The number of flows into the compartment is less than or equal to 0 Check the number of flows for the compartment It indicates a programming error THE NUMBER OF FLOWS OUT Number FOR Compartment ACCMSS 39 The number of flows out of the compartment is less than or equal to 0 Check the number of flows for the compartment It indicates a programming error THERE ARE NO CONTAINERS IN THE VAULT SEE NCONSC VLTDEP The total number of containers in the vault is zero so further simulation is pointless The run is stopped The number of containers is the sum of the values for NCONSC over all the vault sectors Correct the values for parameter NCONSC THERE ARE NO DISCHARGE LOCATIONS IN AN AQUATIC BODY AT LEAST ONE IS NEEDED PREBIO Check that there is at least one aquatic discharge location specified in the geophere network file THERE ARE NO DISCHARGE LOCATIONS IN A TERRESTRIAL BODY AT LEAST ONE IS NEEDED PREBIO Check that there is at least one terrestrial discharge location specified in the geophere network file THERE IS MORE THAN ONE WELL IN THE MODEL PREBIO Check that there is only one well in the list of discharge locations specified geophere network file THIS RUN PUT ON HOLD SIMLAT During execution of the time dependent part of the simulation an e
33. Appendix contains excerpts from the SYVAC3 CC4 median case LPT file Output File Terminal Line Printer File LPT Output File OUT Parameter Values File PAR Time Series Trace Files SUB NDS CDS Model Output File DOS 53 Table 5 5 Output Files for SYVAC3 CC4 Format Text sequential interactive Standard Text File sequential maximum record length 111 characters Standard Text File maximum record length 134 characters Standard Text File optional sequential Standard Text File optional sequential maximum record length 91 characters Standard Text File Contents copyright notice case title error and warning messages simulation and timing summaries case title copyright notice input and output file options simulation ranges requested time series controls INCLUDE file list for sampled dependent and consequence parameters nuclide list in chain order matrix materials wasteforms error and warning messages simulation and runtime summary date and time counts of variable types sampling method random seeds or files variable descriptions constant parameter values variable values for each simulation case title date and time variable values for each simulation case title date and time for each time series recorded time series headers times and values and area error estima
34. EXTERNAL PROCEDURES EXTERNAL PROCEDURES Argument passing conventions Default External Names Interpretation Upper case String length argument passing after string Arg Append underscore to external names not checked Common Options inheritance description not available Calling convention Default Name Case interpretation Default String length Argument passing After all arguments Append Underscore to External names No FLOATING POINT FLOATING POINT Floating point exception handling 3 Enable Floating point consistency blank Extend Precision of single precision Constants blank Enable IEEE Minus zero support Floating point exception handling Produce NaN signed infinities and denormal results fpe 0 1 3 Floating Point Model Fast Reliable Floating Point Exceptions model default Round Floating Point results No Flush Denormal results to zero No Extend precision of single precision constants No Enable IEEE minus zero support No Limit COMPLEX range No Check Floating Point Stack No No Floating point speculations Safe 135 Compaq Visual Fortran 6 6 Intel Visual Fortran 11 1 FORTRAN DATA DATA diff title Default Real kind 4 Default Real kind 4 Default Integer kind 4 Default Integer kind 4 Things checked Default Double Precision kind 8 Constant actual arguments are read only Local variable storage default Local storage Common Element align
35. INSTANT CONT FAIL QUANT SECO8 08 I amp 0 893 0 5 INSTANT CONT FAIL QUANT SECO9 09 amp 0 905 0 5 INSTANT CONT FAIL QUANT SEC10 10 amp 0 915 10 5 INSTANT CONT FAIL QUANT SEC11 11 I amp 0 903 0 5 INSTANT CONT FAIL QUANT SEC12 12 I amp 0 903 0 5 INSTANT CONT FAIL QUANT SEC13 13 amp 0 889 0 5 INSTANT CONT FAIL QUANT SEC14 14 amp 0 893 0 5 INSTANT CONT FAIL QUANT SECIS5 15 amp 0 853 0 5 INSTANT CONT FAIL QUANT SEC16 IFAILQ 16 I amp 0 861 10 5 INSTANT CONT FAIL QUANT SEC17 17 amp 0 924 0 5 INSTANT CONT FAIL QUANT SEC18 18 amp 0 913 10 5 INSTANT CONT FAIL QUANT 5 9 IFAILQ 19 I amp 0 918 0 5 INSTANT CONT FAIL QUANT SEC20 20 I amp 0 896 10 5 INSTANT CONT FAIL QUANT SEC21 21 amp 0 903 0 5 INSTANT CONT FAIL QUANT SEC22 22 amp 0 900 10 5 INSTANT CONT FAIL QUANT SEC23 23 amp 0 977 0 5 INSTANT CONT FAIL QUANT SEC24 24 amp 0 955 10 5 INSTANT CONT FAIL QUANT SEC25 25 amp 0 5 INSTANT FAILURE FRACTION 4 ess amp 0 5 INVENTORY V DUMN1 1 INVPKG 040
36. LOCATION FOR WELL BYPASS TO MODIFY FOR WELL FLOWS ADDWEL There is an error in the geosphere network NET FXD file The run is stopped The segment and node connectivities near to the well nodes are incorrect When there is a well in the geosphere model as a discharge point for groundwater an alternate flow path must also be present that leads the contaminants not captured by the well past the well to discharge somewhere else This network has a well but the well bypass pathway could not be followed to another discharge location Correct the segment and node information in the network file 36 NUCLIDE NuclideName WAS NOT FOUND IN THE INVENTORY CHECK THAT THE PARAMETER LONG NAMES FOR THE INVENTORY HAVE THE FOLLOWING FORMAT INVENTORY V CHAINS One parameter in the input file must have the long name INVENTORY V in order to create the cross reference lists for chain order and parameter order of the nuclides Check the main input file for this long name NUCLIDE NOT FOUND SHOULD BE 1 129 C 14 OR CL 36 GLOWT1 GWDLTN This calculation applies to only these six nuclides but an attempt has been made to use it for a different nuclide The user should not see this message It indicates a programming error The run is stopped Consult the code owner NUCLIDES FirstNuclide AND CurrentNuclide CANNOT BE IN SECULAR EQUILIBRIUM DEPPAR The CurrentNuclide cannot be in secular equilibrium with the FirstNuclide because the Current
37. NANIML SPDOSA mol kg or L mol d MXBSTA TCOEFF terrestrial animal food transfer coefficient SPDOSA mol kg or L mol d MXBSTA 77 Table 6 27 Input Parameters for Determination of Doses from Plants INP File Parameter Definition Units Dimension Common Block CRATIN ratio of nuclide concentration in wet fresh SPCRAT plant matter to that in dry soil for forage field MXBSTA plants CRATIO ratio of nuclide concentration in wet fresh MXCHEM SPCRAT plant matter to that in dry soil for garden MXBSTA plants DRYDEP deposition velocity m s MXBSTA SPDOSP PHLIFE plant environment half life d MXBSTA SPDOSP PHLIFF forage plant environment half life d MXBSTA SPDOSP PHLIFN plant environment life used in non human MXBSTA SPDOSP dose calculations d PIFRAC plant interception fraction NTERR NDEPOS SPDOSP MXBSTA PYIELD plant yield biomass density kg m 2 NTERR MXBSTA SPPYLD SOILPT soil contamination of plants kg kg scalar SPSING TEXPOS animal s food exposure time d MXTERR MXBSTASPDOSP WASHOT washout ratio scalar SPDOSP Table 6 28 Occupancy Factor Input Parameters INP File Parameter Definition Units Dimension Common Block BLDOCC building occupancy factor MXBSTA SPOCPF GROCC ground exposure occupancy factor MXBSTA SPOCPF HALFHI highest daughter half life a Note Ingrowth in scalar SPHLMT building materials and foods during delay from harve
38. TH232AFUEL 100 00 RA228AFUEL 100 00 TH228AFUEL 100 00 RA224AFUEL 100 00 PU241AFUEL 100 00 AM241AFUEL 100 00 NP237AFUEL 100 00 PA233AFUEL 100 00 U 233AFUEL 100 00 TH229AFUEL 100 00 RA225AFUEL 100 00 AC225AFUEL 100 00 PU242AFUEL 100 00 U 238AFUEL 100 00 TH234AFUEL 100 00 U 234AFUEL 100 00 TH230AFUEL 100 00 RA226AFUEL 100 00 RN222AFUEL 100 00 PB210AFUEL 100 00 BI210AFUEL 100 00 PO210AFUEL 100 00 PU239AFUEL 100 00 U 235AFUEL 100 00 TH231AFUEL 100 00 PA231AFUEL 100 00 C227AFUEL 100 00 TH227AFUEL 100 00 RA223AFUEL 100 00 BI208 FUE 100 00 C 14 FUE 100 00 CA 41 FUE 100 00 CL 36 FUE 100 00 CS135 FUE 100 00 TC 99 FUE 100 00 SE 79 FU 100 00 124 I 129 FUEL 1 100 00 NISHED RUN NUMBER 1 WITH ACCEPTED RUNS R R EJECTED RUNS AND UNS ON HOLD E ENDED AT 13 MAR 2009 09 21 03 QAQADNNHY TIMI 0 27 74 MIN NG CPU TIME DURING PRESENT EXECUTION PUT 2 40 39 94 ECTION 0 17 2 86 OURCE 0 00 0 00 E SPONSE 0 00 0 00 ONVOLUTION 0 00 0 00 ESULT 97 43 1621 62 ONSEQUENCE 0 00 0 00 125 APPENDIX J PROGRAMMER GUIDE J 1 INTRODUCTION TO PROGRAMMER GUIDE Since the CC4 code runs under the SYVAC3 executive it is structured to follow SYVAC3 conventions This Appendix provides information relevant to programmers or advanced users on specific topics The user is re
39. Table 6 24 reference human group lifestyle characteristics Table 6 25 human ingestion and inhalation rate data Table 6 26 animal ingestion and inhalation rate data Table 6 27 doses from plant sources Table 6 28 occupancy factors used for building ground humans non humans and water immersion e Table 6 29 holdup times used for the various pathways These holdup times represent the time a radionuclide is held or built up in the specific vector for the dose calculations e Table 6 30 human dose coefficients Tables 6 31 to 6 34 some elements C Cl and have additional parameters used in the determination of the dose estimates 6 3 6 Radiation Exposure for Non Human Biota Dose coefficients used for the generic target plant mammal bird and fish are presented in Table 6 35 6 3 7 Other Input Parameters Table 6 36 lists other input information provided in the INP input file 58 In the biosphere model the consequence results are limited to the maximum concentration CNLIM Certain dose rate time series information is output to the OUT PAR files at the LTIM time points Several unit conversion rates are defined in the input file to avoid hardwired parameters 6 4 DEPENDENT PARAMETERS The values of dependent parameters are assigned before any time dependent calculations are performed These values are printed in the PAR and OUT output files 6 4 4 Vault Dependent Parameters The vault model
40. The element names must correspond in the correct order to elements given in the SYVAC3 CC4 main input file The CC4 geosphere model simulates a maximum of 25 elements 20 sorbing minerals and 2 groundwater redox states Not all combinations of elements minerals and redox states require input data If a value is not required or not applicable to a particular mineral redox combination then all 10 coefficients are set to zero In the excerpt from the sorption file all the data for the first element in the input file C carbon has been listed For all of the remaining elements only the character string line used to identify the element has been left Also included are the header lines for the dummy elements DU that are used as place holders to fill out the file FRAC3DVS Control Input File Data from the code FRAC3DVS may be used instead of the CC4 calculated geosphere flows from the geosphere model One control file and one or more data files must be present in the same run directory in order for FRAC3DVS data to be used The control file provides information for the FRAC3DVS data file names along with nuclide names and a cross 50 references to the FRAC3DVS slice label and CC4 discharge locations which are to use the FRAC3DVS data An example of a FRAC3DVS control input data file can be found in Appendix L FRAC3DVS Data Input File Once a FRAC3DVS control input file is detected in the run directory the data from the FRAC3DVS data
41. amp 0 T SORCO0 00 00 00 amp 0 0 amp 0 T 508 00 00 00 00 amp 0 0 amp 0 T 5 00 00 00 00 amp 0 0 amp 0 amp 0 amp 0 SORCOO0 00 00 00 0 0 0 reducing 0 0 0 0 oxidizing 0 0 0 0 reducing 0 0 0 0 oxidizing 0 0 0 0 reducing 0 0 0 0 oxidizing 0 0 0 0 reducing 0 0 0 0 oxidizing 0 0 0 0 reducing 0 0 0 0 oxidizing 0 0 0 reducing 0 0 oxidizing 0 0 reducing 0 9 oxidizing 0 0 reducing 0 9 Oe he OC hoo qq O4 h O ce n e 0 0 0 0 0 0 0 0 0 0 25 0 0 0 0 0 0 0 0 0 0 T0 hoo Trpo quo dida gabbro overburden 5 overburd COD sediment sediment NO o biotite o biotite calcite NO calcite chlorite NO 0 0 0 18 19 19 20 20 25 25 25 25 25 115 APPENDIX SYVAC3 CC4 PAR FILE This appendix is an extraction from the 4CS median case PAR file This extraction shows only the general format of a PAR file
42. and biosphere states was added to the SYVAC3 CC4 code in version CC4 07 In this section the glaciation scenario will be used as an example of how state dependent geosphere and biosphere states can be used However it should be noted that this capability is generic and can be used to represent state dependent parameters unrelated to glaciation The glaciation scenario was implemented for the geosphere and biosphere models only as the assumption is the effects of glaciation may not reach the vault The geosphere uses the multi compartment model for glaciation The biosphere uses data changes to simulate various biosphere states 2 7 4 Glaciation Scenario in the geosphere To model glaciation in the geosphere the multi compartment model is used for certain segments particularly for those closer to the surface and affected by permafrost The multi compartment model includes an extra compartment to act as a boundary for the segment at which the boundary condition can be applied Two response functions 5 and 6 are implemented using the multi compartment model The boundary compartment for response function 5 is given the same properties as the other sub compartments thus acting as if the current segment extends further analogous to the semi infinite medium response function 1 Response function 6 is similar but implements a zero concentration boundary analogous to response function 3 These response functions are set in the fixed geosphere n
43. be a concern to them The simulation could be rerun with a smaller time series target fractional error and or a larger allowed number of time points to see if the warning is eliminated SIMULATION TIME EXCEEDS MAX TIME OF FRAC3DVS OUTPUT FRAC3DVSTLIMIT SIMF3D The simulation time is greater than the last time present in the FRAV3DVS output The last data value in the FRAC3DVS output will be used to fill in the values for the remaining times up to TLIMIT SEDIMENT THICKNESS IS LT 0 FOR DISCHARGE LOCATION LocationNumber OF TYPE LocationType ADDOSS The sediment thickness is negative This is physically meaningless There is an error in the input data The sediment thickness is reset to zero and execution continues SEGMENT SegmentNumber HAS A NEGATIVE GROUNDWATER VELOCITY OF VelocityValue GWVDEP The message is for information Geosphere transport segments are usually defined to follow the groundwater flow field such that all groundwater velocities are positive The indicated segment has a negative velocity The treatment of dispersive transport is different in the model when the groundwater flow is countercurrent to the direction of transport SELECTED PARAMETER Parsnm IS IN THE FILE BUT NOT IN THE MODEL COMMON BLOCKS RINDEX The parameter is in input file but not in the submodel common blocks Check if proper include file s were used to run the simulation SORPTION DATA FOR ELEMENT Element FOUND WHEN DATA FOR ELEMEN
44. compartments Table 6 51 These compartments include four field compartments vegetable patch forage field woodlot and peat bog four sediments compartments vegetable patch forage field woodlot and peat bog two 60 water compartments lake and well and two air compartments indoor and outdoor The total chemical element concentration and time of maximum concentration for each element is calculated in six biosphere compartments namely lake water well water soil lake sediment indoor air and outdoor air Table 6 51 Two safety indicators are also calculated 1 the maximum value of the total radiotoxicity flux for all nuclides from the geosphere to the biosphere as well as the time this maximum occurs and 2 the maximum value of the total radiotoxicity concentration for all nuclides in lake water as well as the time this maximum occurs Table 6 51 Table 6 51 also lists the mass accumulation parameters for the biosphere Table 6 52 provides a listing of the maximum and time of the maximum for the activity concentration values for the simulated radionuclides non radionuclides To be specific a radionuclide will have an activity value whereas a non radionuclide will have a concentration The consequence parameters found in Table 6 53 are used to indicate the status of the biosphere model after a simulation The flags or informational indexes are used to indicate the water source O NONE 1 LAKE 2 WELL for the specified field veg
45. compartments up to simulation time limit and o Time of maximum chemical element concentration for each element for six biosphere compartments up to simulation time limit Appendix H contains the DOS file for a Horizontal Borehole Case Study median case simulation 5 2 4 Compressed Output File SYVAC3 always produces an OUT output file containing several kinds of information about a case of simulations The SYVAC3 Version SV311 OUT file format is in ASCII format with a fixed record length the previous version used a binary format Details on the format of the OUT file can be found in Andres 2000 Extraction of information can be accomplished using any text editor However SYVIEW and Perl scripts are used to extract information from the OUT file for analysis Once a dataset has been extracted from the OUT file any suitable method e g a statistics software package a spreadsheet program a graphical package can be used to analyze and display the data 5 2 5 System Output File LPT The line printer LPT file is a log of what happens during SYVAC3 execution It begins with a copyright notice and file identification It continues by echoing the input from the INP input file This information is formatted in such a way that the reader can better understand how SYVAC3 interpreted the input It concludes by showing summaries of parameters simulations nuclide and time usage Throughout it records error and warning messages
46. density of water at 25 C kg m scalar SPWATR TEMO reference temperature for RHOO scalar SPWATR VISA coefficient A for water viscosity eqn kg m s scalar SPWATR VISB coefficient B for water viscosity eqn K scalar SPWATR VISREF viscosity of water at 6 C kg m s scalar SPWATR Table 6 19 Geosphere and Biosphere States Input Parameters INP File Parameter Definition Units Dimension Common Block DCMPT number of compartments Scalar SPSTAT ELIZBS elevation of immobile zone basement m MXGSTA SPSTAT BIDXS cross reference index from periods to states MAXPER SPSTAT for biosphere GIDXS cross reference index from periods to states MAXPER SPSTAT for geosphere GSCALE scaling gw flow for geosphere states MAXSEG SPSTAT MXGSTA TDURAT time period duration a MAXPER SPSTAT Table 6 20 Surface Water Input Parameters INP File Parameter Definition Units Dimension Common Block AREAAQ lake surface area m MXBSTA SPLAKE AREATE catchment area of watershed MXBSTA SPLAKE LD mean depth of the surface water body m MXBSTA SPLAKE MLTWTR meltwater production MXBSTA SPLAKE RUNOFF watershed average runoff MXBSTA SPLAKE PRECIP total annual precipitation P m a MXBSTA SPPPTN 273 Table 6 21 Soil and Lake Sediment Input Parameters INP File Parameter Definition Units Dimension Common Block DPSTYP surface soil layer soil typ
47. files are read and geosphere flow time series are created overwriting any CCA calculated geosphere flows for that simulation This file contains two comment lines at the beginning and is followed by the data each line containing seven columns starting with the a FRAC3DVS slice label Data for each slice label appears for one time point and is repeated for each of the next time points For further information see an excerpt from a FRAC3DVS data input file in Appendix L 5 2 OUTPUT FILE DESCRIPTION The purpose of this section is to provide an overview of the output files produced by the SYVAC3 CCA software program The output files from a SYVAC3 CC4 simulation are listed in Table 5 5 5 2 1 Time Series Files The user can choose to print out the intermediate time series results In essence a time series approximates a parameter that changes with time as a series of time value pairs SYVAC3 provides many operations that can be performed on time series among these is the Write Time Series operation that prints the time value data into an ASCII format time series trace file Each SYVAC3 time series operation that creates new time series invokes the Write Time Series operation automatically if a tracing flag within the code is set to TRUE as it is within CC4 02 SYVAC3 provides three optional files into which tracing information can go Their extensions are SUB NDS and CDS These extensions originally stood for SUBmodel output Nucli
48. groundwater flow conditions from segment to segment is taken care of 2 5 16 Geosphere Biosphere Interface The principal interface between the geosphere and biosphere models is the passing of the time dependent flow rates of contaminants from the vault at each of the discharges to the biosphere In addition the aquatic and wetland bog discharge nodes have two extra nodes assigned by CC4 a sediment node and an overburden node as shown schematically in Figure 2 2 The properties of these layers can be significantly different from the bedrock and therefore significantly affect transport of some nuclides even though they may be comparatively thin The two nodes define the positions of the bottom of these layers at these discharge locations CC4 reduces the thickness of the last bedrock segment by the thickness of these layers Note that these layers can have zero thickness Terrestrial discharge zones usually have an overburden layer only although a layer of saturated soil analogous to sediment at an aquatic discharge could also be introduced The geosphere model passes porosities and sorption distribution coefficients for the sediment layers and also passes the retardation factors for the last segment of the pathway leading to each groundwater discharge area to the biosphere model For most aquatic discharge locations this last segment will be the segment passing through the sediment layer for the discharge into a well this segment is the
49. in each sector No fluid phase changes such as water to steam or to ice are allowed The model assumes that the Eh conditions are constant throughout the vault i e consistent reducing or oxidizing parameter values should be used 2 5 GEOSPHERE MODEL The processes simulated are summarized below These brief descriptions also indicate some of the main limitations of the model 2 5 4 Geosphere Groundwater Flow In the geosphere the groundwater flow is not directly calculated but rather must be determined externally to CC4 and used to define a three dimensional 3 D description of the transport pathways of contaminants which is input to the model as a mesh or network of nodes and segments 2 5 2 Geosphere Transport Network The transport segments of the geosphere network are placed to coincide with the pathways that contaminants would follow as they move from the vault to the biosphere as determined by external groundwater flow and transport simulations typically using detailed models such as MOTIF or FRAC3DVS Figure 2 2 provides an example geosphere network Well 1 Upper well 0 0 0 9 Well Capture Node HBC GEONET Sctematic Page 1071 Version Old 2008 25 T C hs K1500 K700 500 K300 K150 K70 K10 KFrac1500 700 KFrac 500 KFrac 300 KFrac 150 KFrac 70 KFrac 10 Sediment River Sediment Lake Stream Overburden Direct Transfer Vault sectors QE
50. input file The product of the number of nuclides and the number of consequence node locations must be less than MXGCNQ 7400 INVALID CALL TYPE CallFlag SHOULD BE MIN OR MAX MXMNVC SET TO FIRST ELEMENT OF VECTOR MXMNVC MIN OR MAX was not used in the call to MXMNVC The first element of the vector is returned KD FOR SEGMENT SegmentNumber MINERAL MineralNumber ELEMENT Element WAS NEGATIVE KDValue AND HAS BEEN SET TO ZERO RETDEP The KD is a ratio of concentrations and its value cannot be less than zero The value is determined from the data in the SORxx FXD file and the data should be checked for errors The negative value calculated has been reset to zero no sorption and the simulation continued MATRIX MAT IS NOT URANIUM RADIOLYSIS DISSOLUTION REQUESTED BUT CANNOT BE USED FULRAD 29 The matrix material is not uranium so the radiolysis dissolution cannot be used but was requested by the user The user must change the matrix degradation type to avoid this message NETORD RETURNED FAILED GETNET Indication that geosphere node calculation order was not determined successfully An error message follows NETORD RETURNED SUCCESSFUL GETNET Indication that geosphere node calculation order was determined successfully from the node connectivity defined in the NET FXD file NEXIDX greater than MAXNOD while final packing NETORD A problem occurred during the determination of the geosphere network calculation o
51. is made up of the following software packages V312 SYVAC generation 3 version 12 CC408 Disposal system model generation 4 version 8 ML303 Modeling Library generation 3 version 3 and SLATEC SLATEC numerical algorithm library version 4 1 July 1993 The reference version of the SYVAC3 source code SV312 contains the following code packages ECcode SYVAC Executive Control code FRcode SYVAC File Reading code PScode SYVAC Parameter Sampling code SVcode SYVAC General Fortran code TScode SYVAC Time Series Fortran code and IFcode interface routines for coupling a new system model to SYVAC not needed for compiling the existing system model The reference version of the disposal system model CC408 contains the following code packages VTcode INROC vault model BTcode BIOTRAC biosphere transport model DOcode BIOTRAC dose calculation model F3code FRAC3DVS interface for CC4 GTcode GEONET geosphere transport model and CCcode Common code between the above packages and for interfaces with SYVAC3 The reference version of the Modelling Library source code ML303 contains the following code packages e ARcode Assorted Routines code e Flcode Finite Interval response function code and Slcode Semi Infinite response function code The reference version of the SLATEC source code is one package called SLATEC which is normally kept with the CC403 code package 132
52. last segment in the aquifer from which the well water is drawn for terrestrial discharges this last segment is generally the segment passing through the overburden layer These retardation factors are used for calculations of nuclide mass flow rates out of the geosphere for daughters in secular equilibrium with their parent nuclides z472 The maximum well capacity obtained from the analytical well model is passed to the biosphere model for use in determining the possible well uses Subsequently the actual pumping demand placed on the well is determined by the biosphere model and the well demand is passed back to the geosphere model 2 5 17 Colloids The model considers reversible sorption of the contaminant onto the colloids composed of a single colloid mineral The colloid itself may migrate more slowly than the groundwater The effects of colloids are applied as modification in the retardation factor equations used in the geosphere transport equations 2 5 18 FRAC3DVS Data Usage Data from the code FRAC3DVS may be used instead of the CC4 calculated geosphere flows from the geosphere model One control file and one or more data files must be present in the same run directory in order for FRAC3DVS data to be used The control file provides information for the FRAC3DVS data file names along with nuclide names and a cross references to the FRAC3DVS slice label and CC4 discharge locations which are to use the FRAC3DVS data Once a control fi
53. of running as a batch file under Windows or Unix operating systems Simulation time and disk space required depend on computer hardware RAM processor network parameters if applicable etc and simulation parameters such as simulation time limit time series accuracy number of compartments used for geosphere number of climatic cycles in geosphere and biosphere number of output files and time series written into the trace files The hardware requirements for the CC408 median value simulation SYVAC3 CC408 with 39 nuclides 4 chain and 8 single nuclides a simulation time limit of 1 02x10 years that contained 100 glaciation periods 10 compartments for each of 63 geospheric segments a time series accuracy of 0 001 and basic output files required approximately 1 hours 22 minutes and 200 MB of disk space on a 3 GHz Intel r Core TM 2 Duo CPU E 6850 HP computer with 2 98 GB of memory In comparison the same simulation requires only 3 minutes to run simulation with the same parameters with only one glaciation period Temperate state in the geosphere and biosphere over the whole length of the simulation 1 2 2 User Requirements In order to effectively utilize the CC4 system model the user needs the following A used fuel repository vault design A description of the geosphere around the repository including the likely contaminant transport paths e g groundwater flow paths between the repository and surface e ability to prepa
54. of these widths represents the total width of the contaminant plume at this point The fraction of contaminants from the vault moving along pathways in the aquifer that is captured by the well is determined from the stream function expression given by the AWME The fraction of the contaminants captured by the well is transported to the well drawdown nodes and then to the well itself The drawdown nodes are used to give better definition to the drawdown cone in the aquifer in the region near the well The fraction of the contaminants not captured by the well is transported along well bypass segments to other network nodes for eventual discharge at the ground surface The well model assumes that pumping is from a confined aquifer with constant and uniform hydraulic properties The well is also assumed to be located over the centre of the plume and near a constant hydraulic head boundary for example a lake located where the aquifer comes to surface 2 5 7 Hydrodynamic Dispersion Coefficient A longitudinal hydrodynamic dispersion coefficient for each nuclide in each transport segment of the network is determined from the sum of a mechanical dispersion term and an effective diffusion term The transport solution for nuclides in decay chains uses a single dispersion coefficient in each segment that applies to all nuclides in the chain the value determined for the first member of the chain is used for all chain members When the mechanical dispersio
55. partition of the shared solubility but stable isotopes within the groundwater are not considered 2 3 6 Release from Container Nuclides released to the interior of a failed container and dissolved within the container water are able to diffuse into the surrounding buffer through the container defect The model determines whether transport out of the container is constrained by the resistance of the defect itself or by diffusion into the surrounding medium and uses the lower corresponding release rate The container defect dimensions are kept constant 24 ENGINEERED BARRIERS MODEL The processes simulated are summarized below These brief descriptions also indicate some of the main limitations of the model 2 4 4 Model Geometry The simplified geometry of the vault room is represented as shown in Figure 2 1 The user must determine the dimensions in the model that best approximate the physical room geometry e g same volume or same radial thickness especially for in floor placement geometries Each room is approximated as a cylindrically nested concentric series of layers of buffer backfill excavation damaged zone EDZ and the geosphere near field rock The near field rock is modelled as semi infinite All properties are assumed to be symmetric about the cylindrical axis Since actual disposal geometries are unlikely to have this cylindrical symmetry equivalent radii must be chosen as inputs A finite axial extent is considere
56. series refreshed UNIDENTIFIED DEGRADATION TYPE DegradationNumber SIMWFM DKFST An invalid degradation type was entered for a matrix material Valid degradation numbers are 1 through 4 VALUE Number IS AT OR OUTSIDE QUANTILE BOUNDS FOR ParameterName ASSVAL A value is being assigned to a sampled parameter using the ON FILE method but the value is outside the range that would be assigned by the RANDOM and QUANTILE methods The value requested is assigned and overrides the range indicated in the input file VECTOR HAS ZERO LENGTH MXMNVC The vector passed into this function has a length of zero The first element in the vector is returned whatever it happens to be at the time WORKING VECTOR PACK COUNT MaxCount EXCEEDED NETORD The working vector used in determination of geosphere node calculation order has been filled and packed more than the allowed number of times There is likely a problem with the net connectivity tables in the NET FXD file An error message follows WORKING VECTOR PACKED TO WNewSize FROM OldSize NETORD The working vector has been filled during the determination of the geosphere node calculation order and has been packed to create more room WELL DEMAND Value gt MaximumWellDemand SOURCE FRACTIONS AND MODIFIED AREAS WILL BE EXTRAPOLATED AND MAY BE UNREALISTIC SSPWEL For the CC4 site specific well model as applied in the third case study and the horizontal borehole study the maximum well demand is li
57. the potential human exposure to contaminants If soil is organic and peat is burned for energy the field order is peat bog garden forage field and woodlot If the soil type is not organic then peat bog is not used and the order is garden forage field and woodlot The fields differ in probabilities of irrigation and their source of irrigation if any 19 2 6 4 Use of Sediments in Fields In some simulations the fields are assumed to lie as much as is physically possible on fresh sediments either because the lake was recently drained for farming or the sediments were dredged for use on the fields Each discharge covers an area on the lakebed Any areas of the lakebed not over a discharge are assumed to be covered by sediments with the same nuclide concentration as the mixed sediment layer The terrestrial fractions of the discharges are usually small and are not included in the calculation The fields possibly in several portions are assumed to lie over the discharges The resulting soil concentration in each field consists of an area weighted average 2 6 5 Concentrations in Atmosphere The atmosphere model calculates nuclide concentrations in air due to suspension of particulates and gases from soils vegetation and the lake Noble gases are modelled separately For some sources an empirical dispersion effect is included but not for all No radioactive decay or ingrowth is accounted for in the atmosphere The loss of contaminant
58. to another For example if the model and the data set remain unchanged and a different set of simulations is requested that change would appear here The user can select which optional files are produced from the input file as shown in these tables The three fields described as 4a 4b and 4c are used to define a range of simulations They may be repeated many times in this record to describe multiple ranges Record 4a 4b 4c Table 5 2 Simulation Control Information INP File Field Case Title Output File Type Optional Output File Extension First Simulation Number Number of Simulations Requested NR Last Simulation Number NL Type and Valid entries Character 80 any string of ASCII characters Character 5 LONG or SHORT Character 3 PAR SUB NDS CDS Integer NF 1 gt 0 NF r 1 gt NL r forr gt 0 Integer NR r gt 0 for all r Integer NL r NF r for all r Meaning The case title appears at the start of each SYVAC3 output file LONG indicates that the value of every variable in every simulation should be stored in the OUT file SHORT means storage of only selected variables From 0 to 4 entries are allowed separated by blanks to indicate which optional files to produce If PAR is present for example then SYVACS will produce a file with the extension otherwise it will not A range of simulations defines a sequence starting
59. well pumping and The contaminant capture fractions by the well in the aquifer which determine the quantities of contaminants entering the well Biosphere e Maximum total dose over time to man from all exposure pathways and all nuclides e Time of maximum total dose rate e Maximum dose rate from all nuclides and all pathways up to a user specified time in years e Time of maximum dose rate from all nuclides and all pathways up to user specified time in years e Maximum dose rate for each individual nuclide and all pathways at the time of maximum total dose rate e Maximum dose rate for each individual nuclide up to simulation time limit e Time of maximum dose rate for each individual nuclide up to simulation time limit e Maximum dose for each nuclide and pathway NS e Maximum dose rate for each non human biota type from all nuclides and all pathways up to simulation time limit e Time of maximum dose rate for each non human biota type from all nuclides and all pathways up to simulation time limit e Maximum dose rate for each non human biota type from all nuclides and all pathways up to specified time in years e Time of maximum dose rate for each non human biota type from all nuclides and all pathways up to specified time in years e Maximum chemical element concentration for each element for six biosphere compartments up to simulation time limit e Time of maximum chemical element concentration for each element for six bios
60. with NF and extending to NL Simulations that lie within this range are to be performed in order Simulations are to continue until either the number of accepted simulations reaches NR or the range is exhausted The Last Simulation Number must at least equal the First there can be no empty ranges 5 1 3 Time Series Controls 45 The fifth and sixth logical records in the input file provide Time Series controls that affect every Time Series generated in the application Table 5 3 These controls specify the time frames of interest and they affect the resolution of a Time Series in these time frames Record 5 6a 6b 6c 6d 6e Field Fixed Time Minimum Number of Time Steps Number of Time Steps Nmax Target Fractional Error TFE Time Smoothing Coefficient St Value Smoothing Table 5 3 Time Series Control Information INP File Type and Valid entries Double Precision Can repeat from 1 to MXTFIX 1 Time entries should increase monotonically Integer 2 lt N min lt MXTSTP Integer Nmin lt NmaxS MXTSTP Double Precision 0 0 lt TFE lt 1 0 Double Precision Optional default is 0 20 0 lt St lt 1 Double Precision Optional default is 0 20 Coefficient Sr 0 lt Sr lt 1 Meaning Every Fixed Time will appear in every Time Series These times are also used to generate a mini time series in the OUT output file Each Time Series must hold at lea
61. 00000000 0 00000000 0 00000000 0 00000000 0 237032685 011 0 8 002 0 386087776 906489339 013 0 7 002 0 585943827 0 134860412 020 0 012 0 102959800 total cumulative mass 219723322 290 0 172644291 288 288 E 025 E 286 0 00000000 0 00000000 0 00000000 0 00000000 659170008E 290 0 517932907 E 285 0 00000000 0 00000000 0 00000000 0 00000000 566415701E 280 0 445015293E 278 E 275 0 00000000 0 00000000 0 00000000 0 00000000 479138067E 016 0 485212303E 016 E 004 109419077E 015 0 393325273E 016 E 004 142892824E 025 0 1224909741 E 013
62. 1 to 0 196 0 4 Reference human group Self sufficient farm Self sufficient farm Self sufficient farm household household household Well depth Up to 200 m Up to 100 m Up to 100 m 5 2 FEATURES CAPABILITIES AND LIMITATIONS 2 1 INTRODUCTION The models are described in detail in the SYVAC3 CC4 Theory report NWMO 2011 The main features capabilities and limitations of the model are briefly described in this section according to Vault Wasteform and Container Vault Engineered Barrier System Geosphere and Biosphere 2 2 PREDICTED VARIABLES The main variables predicted by the various major submodels are summarized below Wasteform and Container e The rate of flow of each contaminant out of the defect in a failed container Engineered Barriers The rate of flow of each radionuclide to each geosphere input location The time of maximum release rate from each vault sector for each nuclide The maximum release rate from each vault sector for each nuclide The accumulated release from all vault sectors of each nuclide and The number of failed containers in the vault Geosphere The rate of flow from each geosphere discharge location for each nuclide The time of maximum flow from each geosphere discharge location for each nuclide The maximum release rate from each geosphere discharge location for each nuclide The maximum well capacity from the underground aquifer The drawdowns in hydraulic head at nodes in the aquifer due to the
63. 100 states Similarly the cross reference index 21 from periods to states for the biosphere BIDXS establishes biospheric state during each of the 100 MAXPER periods Both parameters have dimension of MAXPER 2 8 OTHER RESTRICTIONS AND CAUTIONS Other general restrictions related to the use of the SYVAC3 CC4 code are noted below 2 8 4 Numerical Stability The transport models are semi analytical and as such do not suffer from spatial discretization errors commonly associated with numerical solution methods such as finite elements Time dependence is solved using a response function based approach that also does not depend on the accuracy of the solution at earlier times Numerical analysis involves notably evaluation of response functions numerical integration and inversion of Laplace transforms These are solved by the vault model SYVAC3 routines that have been shown to be robust for conditions similar to the Second Case Study Goodwin et al 1996 2 8 2 Numerical Accuracy The vault boundary integral transport solution has been designed to be accurate to close to machine precision and in general will exceed the accuracy to which the input data are known Error estimates are made for the numerical Laplace inversion and warning messages provided if needed The representation of a time dependent result by a time series a set of finite time points results in some interpolation error when combining time series Time series ma
64. 222AFUEL 0 0000D 00 CA 41 FUE 2 5430D 14 NP237AFUEL 0 0000D 00 PB210AFUEL 0 0000D 00 CL 36 FUE 7 7803D 11 33AFUEL 0 0000D 00 BI210AFUEL 0 0000D 00 CS135 FUE 0 0000D 00 U 233AFUEL 0 0000D 00 PO210AFUEL 0 0000D 00 I 129 FUE 9 6148D 08 TH229AFUEL 0 0000D 00 PU239AFUEL 0 0000D 00 SE 79 FUE 2 0471D 14 RA225AFUEL 0 0000D 00 U 235AFUEL 0 0000D 00 TC 99 FUE 0 0000D 00 PEAK DOSE MXLDT Sv a FROM EACH NUCLIDE AT TMXLDT a PU240AFUEL 0 00000400 at 1 0000D 07 AC225AFUEL 0 Q0000D 00 at 1 0000 07 TH231AFUEL 0 0000 00 at 1 0000D 07 U 236AFUEL 0 Q0000D 00 at 1 0000D 07 PU242AFUEL 0 0000 00 at 1 0000D 07 PA231AFUEL 0 0000 00 at 1 0000D 07 TH232AFUEL 0 Q0000D 00 at 1 0000D 07 U 238AFUEL 0 0000 00 at 1 0000D 07 AC227AFUEL 0 0000D 00 at 1 0000D 07 RA228AFUEL 0 0000D 00 at 1 0000D 07 TH234AFUEL 0 0000 00 at 1 0000D 07 TH227AFUEL 0 0000 00 at 1 0000D 07 TH228AFUEL 0 Q0000D 00 at 1 0000D 07 U 234AFUEL 0 Q0000D 00 at 1 0000D 07 RA223AFUEL 0 Q0000D 00 at 1 0000D 07 RA224AFUEL 0 0000D 00 at 1 0000D 07 TH230AFUEL 0 Q0000D 00 at 1 0000D 07 BI208 FUEL 4 2392D 15 at 1 6171D 06 PU241AFUEL 0 0000D 00 at 1 0000D 07 RA226AFUEL 0 0000 00 at 1 0000D 07 C 14 FUEL 5 6226D 16 at 9 2778D 04 118
65. 4 05 changes Copyright C 2005 Version CC4 04 changes Copyright C 2003 Version CC4 03 changes Copyright C 2002 by Ontario Power Generation Limited Version CC4 02 Copyright C 2001 by Atomic Energy of Canada Ltd AECL e oe oce o cde e o ck ko es owe owe SYVAC3 SYstems Variability Analysis Code version 3 12 Version SV3 12 changes Copyright C 2010 by Nuclear Waste Management Organization Version SV3 11 changes Copyright C 2005 by Ontario Power Generation Limited Version SV3 10 Copyright C 1987 1988 1989 1990 1991 1995 1996 by Atomic Energy of Canada Ltd AECL AECL Proprietary Information All Rights Reserved CIE EE EE IE IEEE EI IIIA cm molo lo old FF F F F F FF F F F FF FF F 21 v F FF FF FF KF FF FF FF KF OF OF Xe ode de o co o ok o c de o c oe s ok ok ck 0X ck 0X TITLE Median HB0O 2011 07 29 RUN NUMBER 1 HIGHEST RUN NUMBER 1 NUMBER OF RUN NUMBER RANGES 1 NUMBER OF ACCEPTED RUNS REQUESTED 1 122 OUTPUT TYPE SHORT OPTIONAL FILES PAR SUB NDS CDS MINIMUM NUMBER OF TIME STEPS 3 MAXIMUM NUMBER OF TIME STEPS 200 TARGET FRACTIONAL ERROR 1 000000D 03 SMOOTHING COEFFICIENT TIM
66. 4 95 96 97 98 99 100 110 101 102 47 104 105 106 76 108 109 110 120 111 112 113 114 115 116 117 76 118 119 1130 120 121 122 123 124 125 126 127 128 76 140 129 136 137 130 138 139 131 140 141 132 150 142 143 133 144 145 146 147 148 149 150 160 151 152 0 0 0 0 0 0 0 0 DEZO 0 0 0 0 0 0 0 0 0 0 1180 0 0 0 0 0 0 0 0 0 0 1190 0 0 0 0 0 0 0 0 0 0 1200 unique glaciation states 1 Boral Normal Boreal 2 PrmTl Permafrost Talik 3 IceCl Icesheet Coldbase 4 PrmTO Permafrost No Talik 5 Icesheet Warmbase 6 ProLl Proglacial Lake 7 Bora2 Normal Boreal 2 8 sta08 state 8 9 sta09 state 9 10 stalO state 10 identification of states with impermeable zone and pathway through 0 no impermeable zone 1 impermeable zone but no open pathway 2 impermeable zone with open pathway 0 0 0 0 0 0 0 0 0 0 10 list of segments in open pathway passing through impermeable zone 0 0 0 0 0 0 0 0 0 0 10 RI RY m m m m mmm mmmmmmmmmmmmmmmmmmmmmmmmnmmmmmmmmmmmmmummnmmmoommmmmmmnmnmamammmmmiummimm 0 0 0 0 0 0 0 0 0 0 120 0 0 0 0 0 0 0 0 0 0 130 0 0 0 0 0 0 0 0 0 0 140 0 0 0 0 0 0 0 0 0 0 150 0 0 0 0 0 0 0 0 0 0 160 0 0 0 0 0 0 0 0 0 0 170 0 0 0 0 0 0 0 0 0 0 180 0 0 0 0 0 0 0 0 0 0 190 0 0 0 0 0 0 0 0 0 0 1100 0 0 0 0 0 0 0 0 0 0 1110 0 0 0 0 0 0 0 0 0 0 1120 0 0 0 0 0 0 0 0 0 0 1130 0 0 0 0 0 0 0 0 0 0 1140 0 0 0 0 0 0 0 0 0 0 1150 0 0 0 0 0 0 0 0 0 0 1160 0 0 0 0 0 0 0 0 0 0 ITO 0 0 0
67. 8 62 48 33 152 63 49 37 118 64 50 38 22 519 65 DL 39 25 120 109 66 52 40 26 21 110 67 53 41 27 122 111 78 68 54 42 28 123 lt 112 719 69 55 43 29 124 113 80 34 70 16 11 2 125 114 8 56 35 23 17 12 3 26 115 104 151 148 147 146 82 Sif 36 24 18 13 4 127 116 105 74 86 83 71 150 44 30 19 145 144 De E28 EL 106 15 87 84 2 58 45 91 20 14 8 6 76 9 134 142 140 138 136 135 143 141 139 137 4 133 132 131 130 2 29 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RUN 1 ck ckckckckockckckckck ck kck kk RUN T ck ck ck ckckckckckckck ck kck kk RUN 1 ck ck ckckockckckckck ck kckckck kk RUN 1 x ckckockckckckckckckckck ck kc kk MAXIMUM DOSE FROM ALL NUCLIDES UP TO TLIMIT MXLDA 9 71311D 08 Sv a at TMXLDA 1 10450D 06 a MAXIMUM DOSE FROM ALL NUCLIDES UP TO 1 00000D 06a MXTDA 9 62262D 08 Sv a at TMXTDA 1 00000 06 TOTAL DOSE DDT Sv a FROM EACH NUCLIDE AT TMXTDA 1 00000D 06 a PU240AFUEL 0 0000D 00 AC225AFUEL 0 0000D 00 TH231AFUEL 0 0000D 00 U 236AFUEL 0 0000D 00 PU242AFUEL 0 0000D 00 PA231AFUEL 0 0000D 00 TH232AFUEL 0 0000D 00 0 238AFUEL 0 0000D 00 AC227AFUEL 0 0000D 00 A228AFUEL 0 0000D 00 TH234AFUEL 0 0000D 00 TH227AFUEL 0 0000D 00 TH228AFUEL 0 0000D 00 234AFUEL 0 0000D 00 RA223AFUEL 0 0000D 00 RA224AFUEL 0 0000D 00 TH230AFUEL 0 0000D 00 BI208 FUE 2 1365D 15 PU241AFUEL 0 0000D 00 RA226AFUEL 0 0000D 00 14 FUE 0 0000D 00 AM241AFUEL 0 0000D 00 RN
68. 93 94 95 96 100 101 102 103 104 105 106 TLO LET 113 114 115 116 PEO 120 121 122 123 124 125 7 9 136 137 9 138 139 76 142 143 2 11 16 22 78 108 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 node index number for node at 2 3 4 5 6 134 135 9 11 1022 I3 5 14 9 5 19 20 9 22 23 24 27 28 29 2 30 31 9 36 5 37 38 39 40 41 2 2 2 20 20 2 2 130 2 2 2 140 T6 10 20 2550 2 16 9 160 3 2 2 170 10 2 20 180 2 10 2 190 20 2 9 1100 2 16 9 1110 2 10 756 S120 20 10 2 1130 4 6 20 1140 5 7 8 1150 20 20 20 1160 0 0 0 DEZO 0 0 0 1180 0 0 0 1190 0 0 0 1200 5 20 2 110 2 2 2 120 20 2 2 130 2 2 2 140 16 10 20 150 2 T6 7 9 160 3 2 2 170 10 2 20 180 2 10 2 190 20 2 9 1100 2 16 9 1110 2 10 6 220 20 10 2 1130 4 6 20 1140 5 7 8 1150 20 20 20 1160 0 0 0 1170 0 0 0 1180 0 0 0 1190 0 0 0 1200 inlet of segment 13556 144 110 T5 56 770920 24 22 25 5530 32 523 lt 34 gt 40 41 42 43 50 50 SL 52 gt 60 58 159 260 70 68 69 70 80 78 79 80 190 87 88 89 100 97 98 99 110 107 108 109 120 152 X18 3730 126 127 128 140 76 140 141 150 33 47 47 1160 0 0 0 DEZO 0 0 0 1180 0 0 0 1190 0 0 0 1200 outlet of segment 7 9 8 10 T6 LI 282 420 5 29n 26 130 33 1345 135 40 42 43 2 150 108 44 45 9 47 48 49 50 51 52 53 60 54 55 16 56 57 5 58 9 60 61 70 62 63 64 65 66 67 68 69 70 23 180 JA 42 09 74 75 76 78 79 80 81 190 82 5 83 84 9 86 87 9 89 90 100 91 92 93 9
69. 96 The disposal of Canada s nuclear fuel waste A study of postclosure safety of in room emplacement of used CANDU fuel in copper containers in permeable plutonic rock Volume 2 Vault model Atomic Energy of Canada Limited Report AECL 11494 2 COG 95 552 2 Chalk River Canada NWMO 2011 SYVAC3 CC4 Theory Nuclear Waste Management Organization Technical Report NWMO TR 2011 20 Toronto Canada Stanchell F W C C Davidson T W Melnyk N W Scheier T Chan 1996 The Disposal of Canada s Nuclear Fuel Waste A Study of Postclosure Safety of In Room Emplacement of Used CANDU Fuel in Copper Containers in Permeable Plutonic Rock Volume 3 Geosphere Model Atomic Energy of Canada Limited Report AECL 11494 3 COG 96 552 3 Chalk River Canada Zach R B D Amiro G A Bird Macdonald 1 Sheppard S C Sheppard J G Szekely 1996 The Disposal of Canada s Nuclear Fuel Waste A Study of Postclosure Safety of In Room Emplacement of Used CANDU Fuel in Copper Containers in Permeable Plutonic Rock Volume 4 Biosphere Model Atomic Energy of Canada Limited Report AECL 11494 4 COG 96 552 4 Chalk River Canada 06 97 APPENDIX A EXAMPLE SIMULATION COMMAND FILE The following command file copies in the required INCLUDE files from a directory that contains all the SP INC DP INC and CQ INC files into the current directory which contains the main input file SVO1 INP any files and optionally any FRAC3DVS d
70. ALPH INC COMMON SPALPH AALPHA ALPHA DOSE DISS RATE EXPONENT AALPHA S amp CONST 1 0 K WEI 100 FRANK INSTANT RELEASE FRAC DUM17 IRFRAV 040 amp CONST 0 0 GEO SPSTAT INC COMMON SPSTAT TDURAT MAXPER GLACIAL PERIOD DURATION GP001 TDURAT 001 amp CONST 50300 GLACIAL PERIOD DURATION GP100 TDURAT 100 amp CONST 0 END END OF ALL SAMPLED PARAMETERS CALCULATED Nuclide Independent Parameters VLT DPDARV INC COMMON DPDARV DARBV MAXSEC SECTOR BUFFER DARCY VEL 01 DARBV 01 NUCLIDE SOLUBILITIES dum17 SOLUNX 040 END end of DP parameters for VLT CALCULATED Nuclide Independent Parameters GEO DPNODS INC COMMON DPNODS DRAWDN MAXNOD HYDRAULIC HEAD DRAWDOWN 001 DRAWDN 001 RETARDATION FACTOR null dume7 RETGEO 10 25 END end of DP parameters for GEO CALCULATED Nuclide Independent Parameters BIO DPANAR INC COMMON DPANAR AREAF MXFELD AREA OF EACH FIELD forag AREAF 01 SEDIM T DIST COEFF 41510 dume7 SEDKD 10 25 END end of DP parameters for BIO CON
71. Aquatic discharge Terrestrial discharge Q Source nodes Well aquifer nodes FZ ChemDiv 2 54 reference node 9 2 11 Lake 2 3 Stream 6 7 e Xe 454 C 50 53 River collection 62 65 o node X 8 3 4 e 49 a 51 d 24 i 5 A 9 Lower well reference node T 2 Lake Well Upper River Lower River AN m add 9 22 G 45 27 35 43 o br 32 cn 0 00 a8 5 Upper Stream t VVetland LowerStream Figure 2 2 Example Schematic of the Geosphere Network ins Note that groundwater flow alone does not necessarily indicate the transport paths if contaminant transport is dominated by diffusion rather than by groundwater advection In such cases the geosphere transport network segments should be along the lines of maximum concentration gradient representing the shortest diffusion paths to regions where the permeability and groundwater flow are significantly higher The network incorporates the hydro geological stratigraphy and geological structures the geochemistry of the rock and the groundwater and the groundwater flow field The contaminant flow out from one segment of the network is calculated and used as the input to the next segment of the network The transport network may converge
72. CN SPMICN SPMJCN SPMJCN SPMJCN SPETBD SPETBD SPEUBD SPEUBD SPSPOT SPLOGC SPSLTD SPSLTD SPSLTD SPLOGC SPLOGC SPLOGC SPLOGC SPLOGC SPLOGC SPSLTD SPSLTD SPSLTD SPSLTD SPSLTD SPLOGC continued 65 Table 6 8 Solubility Input Parameters INP File concluded Parameter Code Description Units Dimension Common Block MAXSOL maximum solubility of an element mol kg MXCHEM SPMXSL NS number of solubility species reactions for an MAXELM SPNSL element MAXIFI P1R log K at 298 K for solubility species reactions MAXELM SPECON MAXSPE Temp dependence of equilibrium constant for MAXELM MAX et solubility species reactions 1 K SPE SECON PH pH scalar SPPH SLP25 Eh S factor at 25 C V scalar SPSL25 Indicates solubility calculation SOLOPT 0 SOLOPT use MAXSOL for all elements SOLOPT 1 scalar SPCSOL use calculated value Table 6 9 Vault Transport Input Parameters INP File Parameter Definition Units Dimension Block BKPERM Backfill permeability m scalar SPBACK DIFBAK total intrinsic diffusion coefficient in backfill MXCHEM SPDIFF DIFBUF total intrinsic diffusion coefficient in buffer MXCHEM SPDIFF DIFCHO total intrinsic diffusion coefficient for inside hole MXCHEM SPDIFF in container m7 a DZPERA damaged zone permeability parallel to the axis ofscalar SPBACK the disposal room m LEDBAK axial dispersion length for backfill m scalar SPTHCK LEDDAM a
73. D 06 5 6706D 24 9 2778D 04 1 9140D 27 9 2500D 04 CA 1 1239D 21 8 0000D 05 8 1821D 26 8 0000D 05 CL 5 0275D 18 5 6836D 05 4 6978D 23 5 6750D 05 CS 2 7325D 21 1 0000D 07 1 0563D 23 1 0000D 07 I 2 0303D 15 1 1045D 06 1 2987D 17 1 1045D 06 NP 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 PA 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 PB 0 0000D 00 1 0000D 07 0 0000D 00 1 0000D 07 JHU N WUWU 119 0000 00 1 0000D 07 0 0000D 00 1 0000D 07 0000 00 1 0000D 07 0 0000D 00 1 0000D 07 0000 00 1 0000D 07 0 0000D 00 1 0000D 07 0000 00 1 0000D 07 0 0000D 00 1 0000D 07 6552D 22 3 8803D 06 2 3623D 25 3 8555D 06 0000 00 1 0000D 07 0 0000D 00 1 0000D 07 0000 00 1 0000D 07 0 0000D 00 1 0000D 07 0000 00 1 0000D 07 0 0000D 00 1 0000D 07 0000 00 1 0000D 07 0 0000D 00 1 0000D 07 120 121 APPENDIX I SYVAC3 CC4 LPT FILE This appendix is an extraction from a median case LPT file This extraction shows only the general format of the LPT file SV120801 LPT BEGUN 29 JUL 2011 13 29 31 Xe ode oco o ck owe ck Ck o oes oes ck ook c o Kk oe 4 CC4 Model Code version 4 08 Version CC4 08 changes Copyright C 2010 Version CC4 07 changes Copyright C 2008 by Nuclear Waste Management Organization Version CC4 06 changes Copyright C 2006 Version CC
74. DE Inc Source CC408 BTCODE Inc Source CC408 DOCODE Inc Source CC408 GTCODE Inc Source CC408 F3CODE Inc Source CC408 VTCODE Inc Source SV312 ECcode Inc Source SV312 FRcode Inc Source SV312 PScode Inc Source SV312 SVcode Inc Source SV312 TScode Inc Source m1303 ARcode inc Source m1303 FIcode inc MMC CI CL MMC CDI CL PU QU Om OP Ld where it may be noted that the ML303 SIcode and CC408 SLATEC do not appear in the latter search list since they do not have any INCLUDE files For any duplicate FORTRAN modules the CC4 version should be configured as the one that is actually compiled The use of a Search List has several advantages including e Noneed to make a temporary copy of all source code e Make file and other Visual Fortran project files reference the installed code areas e Only the required INCLUDE files are used and they are referenced automatically without user intervention e Review of the source code can be done interactively through the Visual Fortran interface 138 139 APPENDIX L FRAC3DVS Input Files This appendix shows the general format of a F3D FXD file and also shows the general format of a corresponding FRAC3DVS data file FRAC3DVS Control File Format F3D FXD his file stores information needed for reading FRAC3DV output files The variables are stored in INCLUDE file F3DDAT INC chang
75. ES 2 000000D 01 SMOOTHING COEFFICIENT VALUES 2 000000D 01 NUMBER OF FIXED TIMES 26 FIXED TIMES 0 00000 10 0000 18 0000 32 0000 56 0000 100 000 180 000 320 000 560 000 1000 00 1800 00 3200 00 5600 00 10000 0 18000 0 32000 0 56000 0 100000 180000 320000 560000 1 000000 06 1 800000 06 3 200000 06 5 600000E 06 1 000000E 07 COMMON BLOCKS OF PARAMETERS IN INCLUDE FILES ARE INC SPWTDC INC SPWTDC SAMPLING METHOD QUANTILE SAMPLING FILE NAME MEDIANHB ONT PARAMETERS SAMPLED BY QUANTILE ARE ALPHA DOSE DISS RATE EXPONENT AALPHA CONST value 1 000000D 00 INSTANT RELEASE FRAC DUMN1 IRFRAV 040 CONST value 0 000000D 00 SAMPLING METHOD CALCULATED CALCULATED PARAMETERS ARE SECTOR BUFFER DARCY VEL 01 01 SEDIM T DIST COEFF 41510 dume6 SEDKD 10 25 L KG N SAMPLING METHOD CONSEQUENCES CONSEQUENCES ARE AMT ACCUM IN FAILED CONT Ac225 AMTCNT 001 MOL NU 5120 WARN gt CNLIM dumnl caout WCN
76. F J Avis Calder P Gierszewski C Kitson T Melnyk Wei and L Wojciechowski 2005 Horizontal Borehole Concept Case Study Ontario Power Generation Nuclear Waste Management Division Technical Report 06819 REP 01200 10139 00 Toronto Canada Garisto F J Avis T Chshyolkova P Gierszewski M Gobien C Kitson T Melnyk J Miller R Walsh and L Wojciechowski 2010 Glaciation Scenario Safety Assessment for a Deep Geological Repository for Used Fuel Nuclear Waste Management Organization Technical Report NWMO TR 2010 10 Toronto Canada Gierszewski P J Avis N Calder A D Andrea F Garisto C Kitson T Melnyk K Wei and L Wojciechowski 2004 Third Case Study Postclosure Safety Assessment Ontario Power Generation Nuclear Waste Management Division Report 06819 REP 01200 10109 00 Toronto Canada Goodwin B W T H Andres W C Hajas D M LeNeveu T W Melnyk J G Szekely A G Wikjord D C Donahue S B Keeling Kitson S E Oliver Witzke and L Wojciechowski 1996 The disposal of Canada s nuclear fuel waste A study of postclosure safety of in room emplacement of used CANDU fuel in copper containers in permeable plutonic rock Volume 5 Radiological assessment Atomic Energy of Canada Limited Report AECL 11494 5 COG 95 552 5 Chalk River Canada Johnson L H D M LeNeveu King D W Shoesmith M Kolar D W S Sunder C Onofrei and J L Crosthwaite 19
77. Geosphere Node Input Parameters INP File Parameter Definition Units Dimension Common Block NDHEAD node reference hydraulic head in absence of MAXNOD SPNODS well m NDPOSX node position x coordinate m MAXNOD SPNODS NDPOSY node position y coordinate m MAXNOD SPNODS NDPOSZ node position z coordinate m MAXNOD SPNODS NDTEMP node temperature C MAXNOD SPNODS 67 Table 6 12 Well Input Parameters INP File Parameter Definition Units Dimension Common Block DISCC1 well bypass discharge eqn C1 scalar SPWELL DISTD1 distance to 1st drawdown node m scalar SPWELL DISTD2 distance to 2nd drawdown node m scalar SPWELL DPTHWL well depth below water table m scalar SPWELL NAQDA1 nonaquifer drawdown eqn A1 a m MAXNOD SPWELL QSCALE scaling factor for well demand scalar SPWELL RADWEL radius of well casing m scalar SPWELL THIKAQ thickness of well aquifer m scalar SPWELL Parameter GWVFID SGCPCL SGNODI SGNODO SGPPCL SGRFID SGTLIK STPFTL 68 Table 6 13 Geosphere Fixed Segment Input Parameters NET FXD File Definition Units Dimension Common Block groundwater velocity input indicator scalar FPSEGS 1 7 velocity input 2 Darcy vel input linear velocity calculated 3 hyd conductivity input velocity calculated 4 head and permeability input both hyd conductivity and velocity calculated 5 head permeability and temperature input both hyd conductivity and velocity cal
78. ILRN WAKE WIND 74 Table 6 22 Atmosphere Input Parameters INP File Definition Units atmospheric dust aerosol load from the lake m m atmospheric dust load from the soil kg m building height m building width m frequency of land clearing fires 1 a rate constants for loss of gaseous nuclides from lake by degassing 1 a rate constant for loss of nuclide from soil by degassing 1 a term 1 for aqueous dispersion function term 2 for aqueous dispersion function term 1 for terrestrial dispersion function term 2 for terrestrial dispersion function average wind speed used to develop dispersion equations m s fraction of nuclide released from vegetation in agricultural fires energy fires or land and forest fires frequency of agricultural fires 1 a indoor radon transfer coefficient mol m mol kg building infiltration rate 1 5 nuclide fraction released from water during indoor usage radon emission source rate kg m s plume wake entrainment coefficient average wind speed m s Dimension scalar scalar MXBSTA MXBSTA MXBSTA MXCHEM MXBSTA MXCHEM NSOIL MXBSTA scalar scalar scalar scalar scalar MXCHEM MXFIRE MXBSTA MXBSTA scalar MXCHEM MXBSTA scalar MXBSTA Common Block SPATMS SPATMS SPATMS SPATMS SPATMS SPDGAS SPDGAS SPATMS SPATMS SPATMS SPATMS SPATMS SPEMFR SPATM2 SPATM2 SPATM2 SPATM2 SPATM2 SPAT
79. IN NuclideName CANNOT BE IN SECULAR EQUILIBRIUM WITH PREVIOUS NUCLIDE CHAINS Check that the first nuclide in a chain does not have an indicating secular equilibrium FRAC3DVS RUNID FILEID TOO LONG FileName GETF3D The FRAC3DVS data input file name is too long once the run identifier and file identifier are concatenated together Shorten either or both identifiers FRAC3DVS UNIQUE FILE NAME TOO LONG FileName GETF3D The FRAC3DVS data input file identifier is too long Shorten the identifier FUEL DOSE VALUES CANNOT BE INTERPOLATED BECAUSE TIMES MAY NOT BE MONOTONIC ALPHDS BETADS and GAMADS An appropriate interpolation interval cannot be found to calculate the dose at a particular time The run is stopped Check that the times in the input parameter lists ALPHTI or BETATI or GAMATI are in increasing order start at times less than the start of the simulation and end at or after the end time of the simulation FUEL DOSE VALUES OUTSIDE ARRAY BOUNDS ALPHDS BETADS GAMADS The number of requested entries in the fuel radiolysis dose rate time series is larger than the allowed array storage The run is stopped The value of input parameter NOALPHA or NOBETA or NOGAMMA is too large 34 HALF LIFE Value OF NUCLIDE NuclideName 15 TOO SMALL DEPPAR The half life of a nuclide is shorter than the allowed value of MNHLIF years The run is stopped Correct the input value for HLIFE or change the nuclide chains list to delete th
80. IONS Acronyms used in this user manual are provided below AECL Atomic Energy of Canada Limited AWME Analytical Well Model Equations CC4 Canadian Concept generation 4 EDZ Excavation Damaged Zone EIS Environmental Impact Assessment HBC Horizontal Borehole Case NWMO Nuclear Waste Management Organization OPG Ontario Power Generation Inc SYVAC3 System Variability Analysis Code generation 3 TCS Third Case Study TFE Target Fractional Error 4 Table 1 1 Comparison of Selected Features of the EIS Second and Third Case Studies EIS Case Study Second Case Study Third Case Study Emplacement option In floor In room In room Vault depth 500 m 500 m 659 m Number of fuel bundles 8 5 million 4 3 million 3 6 million Vault area 3 2 km 3 4 km 1 8 km Fuel burnup 685 GJ kg U 720 GJ kg U 792 GJ kg U Fuel cooling time 10a 10a 30a Number of bundles per container 72 72 324 Number of containers 118 700 60 100 11 232 Container shell material Grade 2 Ti high purity Cu high purity Cu Container corrosion Localized crevice None None mechanisms and and delayed hydride cracking Fraction of containers failed instantly 10 to 10 10 to 10 2 x10 complete failure pinhole failure pinhole failure Fraction of containers failed by 10 1 10 to 10 2 x10 Effective buffer thickness 0 25 m 1 48m 1 1m Effective backfill thickness 1 4m 0 76 m 0 90 m Rock permeability at vault depth 107 mr 107 m 107 m Rock porosity at vault depth 0 396 0 00
81. LIM 040 12 N INT 1 CHAINS ONE PER LINE INDICATES SECULAR EQUILIBRIUM WITH PREVIOUS NUCLIDE PU240AFUEL U 236AFUEL TH232AFUEL RA228AFUEL TH228AFUE RA224AFUEL PU241AFUEL AM241AFUEL NP237AFUEL PA233AFUEL 233AFUEL TH229AFUEL RA225AFUEL AC225AFUEL PU242AFUEL U 238AFUEL TH234AFUEL U 234AFUEL TH230AFUEL RA226AFUEL RN222AFUEL PB210AFUEL BI210AFUEL PO210AFUEL PU239AFUEL U 235AFUEL TH231AFUEL PA231AFUEL AC227AFUEL TH227AFUEL RA223AFUEL BI208 FUEL C 14 FUEL 123 CA 41 FUEL CL 36 FUEL CS135 FUEL TC 99 FUEL SE 79 FUEL I 129 FUEL MATRIX MATERIALS U 238AFUEL 4245 SAMPLED PARAMETERS ARE CONSTANT 6894 SAMPLED AND CALCULATED PARAMETERS VARY 20195 CONSEQUENCES RECORD LENGTH 132 BYTES WARNING IN RUN be SIMLAT BEGINNING SIMULATION SUMMARY OF RANGE NUMBER 1 STARTING RUN NUMBER 1 ENDING RUN NUMBER 1 NUMBER OF ACCEPTED RUNS REQUESTED 1 NUMBER OF RUNS ACCEPTED 1 NUMBER OF RUNS ON HOLD 0 NUMBER OF RUNS REJECTED 0 NUCLIDE ACCEPTANCE NUCLIDE RUNS OF ACCEPTED RUNS PU240AFUEL 100 00 U 236AFUEL 100 00
82. M2 SPATM2 75 Table 6 23 Biosphere Conversion and Yield Input Parameters INP File Parameter Definition Units Dimension Common Block AYIELD animal food yield quantity a NANIML SPAYLD CRPFRC fraction of contaminant lost from soil due to scalar SPCROP cropping that is permanently removed DWS dry to wet soil mass conversion factor scalar SPFCTR EPEAT energy content of peat MJ kg scalar SPWLPB EWOOD energy content of wood MJ kg scalar SPWLPB FORYD forest yield kg m scalar SPWLPB SBC soil to inorganic building material mass scalar SPFCTR conversion factor RENEW forest renewal time a MXBSTA SPWLPB WDW wet to dry wood mass conversion factor scalar SPFCTR Table 6 24 Reference Human Group Lifestyle Input Parameters INP File Parameter Definition Units Dimension Common Block CRPFRQ field cropping frequency 1 a MXFELD SPCROP CROPER duration of use of unirrigated field a scalar SPCROP DEMMAN water demand per person m a MXBSTA SPWBIO FUELUS fuel consumption MJ a scalar SPWLPB LFTIM household lifetime a MXBSTA SPWLPB IRRPER duration of use of irrigated field a MXBSTA SPSOIL NUMMAN number of persons in household MXBSTA SPWBIO PRODMD indicates domestic water source Lake 1 Well 2MXBSTA SPPWEL PROIRD indicates if field is irrigated Not irrigated 70 MXFELD SPPIRR Irrigated 1 MXBSTA PROLOC probability that humans or a crop will be inthe MXBSTA SPEPRO path of atmospheric nuclides genera
83. Nuclide has the longer half life The run is stopped Correct the chains list or correct the values for HLIFE in the main INP input file OVERBURDEN NODE NOT FOUND AS SEGMENT OUTLET NODE ADDOSS There is an error in the geosphere network NET FXD file The run is stopped An overburden node is a node adjacent in the network to a sediment node and it was not found in turn as an outlet node for a segment Correct the segment and node information in the network file PARAMETER ParameterName S OUTSIDE THE 1 TO ParameterRange INCLUSIVE RANGE STADEP The cross reference parameters GIXDS or BIDXS are not in their value ranges The simulation is REJECTED The values for the indicated parameter should be corrected PARAMETER ParameterName ParameterValue THIS IS OUTSIDE THE ParameterRange REQUIRED FOR THE BIOSPHERE PREBIO PREDOS There are many potential error messages from the biosphere of this form that report a violation of a check on preconditions for the biosphere transport model and the biosphere dose model The simulation is REJECTED The values for the indicated parameter should be corrected PROGRAM STOPPING FOR ABOVE ERRORS DEPPAR The run is stopped Previous error messages indicate the reasons READING MATRIX MATERIALS MATRXM Message for information only unless the program stops after reading an incorrect matrix material at the end of the main input file REFERENCE WELL NODES INCONSISTENT WITH WELL DEPTH ADDWEL There
84. O 17 FUEL ALPHA DOSE RATES DAT17 4 19000E 03 GY A 34290 WCNLIM 031 18 WARN CONC GT CNLI Th230 caoup 0 00000E 00 34291 WCNLIM 032 18 WARN CONC GT CNLI Th231 caoup 0 00000E 00 34292 WCNLIM 033 18 WARN CONC GT CNLI Th232 caoup 0 00000E 00 34293 WCNLIM 034 18 WARN CONC GT CNLI Th234 caoup 0 00000E 00 34294 WCNLIM 035 18 WARN CONC GT CNLI U 233 caoup 0 00000E 00 34295 WCNLIM 036 18 WARN CONC GT CNLI U 234 caoup 0 00000E 00 34296 WCNLIM 037 18 WARN CONC GT CNLI U 235 caoup 0 00000E 00 34297 WCNLIM 038 18 WARN CONC GT CNLI U 236 caoup 0 00000E 00 34298 WCNLIM 039 18 WARN CONC GT CNLI U 238 caoup 0 00000E 00 34299 WCNLIM 040 18 WARN CONC GT CNLI dumnl caoup 0 00000E 00 116 117 APPENDIX SYVAC3 CC4 DOS FILE This appendix contains an entire DOS file for a 4CS reference case SV120801 D0S BEGUN 18 MAR 2011 16 28 43 Onfile Based on Median Case 01 4CS Calculation order for Geosphere network nodes 89 90 91 92 93 94 95 96 97 98 99 100 101 102 60 47 61 149 10
85. O4 5 01 number metal atoms Neptunium Np 3 5 02 number metal atoms Neptunium NpO2 5 03 number metal atoms Neptunium Np OH 2 2 5 04 number metal atoms Neptunium Np 4 aq 5 05 number metal atoms Neptunium NpO2 2 5 06 number metal atoms Neptunium NpO2 OH aq 5 07 number metal atoms Neptunium NpF2 2 5 08 number metal atoms Neptunium NpO2F aq 5 09 number metal atoms Neptunium Np 504 2 5 10 number metal atoms Neptunium 02504 5 11 number metal atoms Neptunium NpO2CO3 5 12 number metal atoms Neptunium NpO2 2 3 5 13 number metal atoms Neptunium 02 3 5 5 14 number metal atoms Neptunium 02 4 5 15 number metal atoms Neptunium NpO2Cl aq 106 107 APPENDIX E GEOSPHERE NETWORK INPUT DATA FILE This appendix contains the entire 4CS geosphere network input file The order of node calculations is automatically determined based on segment inlet and outlet information from this file 2011 FEB 09 VERSION 03A 01 Kitson new network file for 4CS Generated in 4CSNetFileConnetivity02a xls in W SA05_2010 03M 03 Sectorization 06 NodeSelection 03 Network GEONET NETWORK FIXED PARAMETER DATA FILE NETnn FXD INPUT FILE FOR SYVAC3 CC407 Dimensions of 25 sectors 50 source nodes 200 nodes 200 segments 10 discharges 10 unique glaciation states groundwater velocity function indicator
86. ORAGE VEGPCH WOODLT 2902 6 022045 10 Avogadro s number 9 807 acceleration due to gravity m s 0 0027 minimum half life a 1 0x10 maximum half life for calculations otherwise decay constant set to zero a 3 141592653589793 reference temperature of 273 15 K K 0 01 duration of short time pulse typically used for modelling pulse input of material into a compartment a 3 652422 10 days per annum d a 1 0x10 value cubic metres per litre m L 3 1556926x10 seconds per annum s a 8 64 10 seconds per day s d 1 index used to identify radiolysis degradation method 2 index used to identify solubility degradation method 3 index used to identify corrosion rate degradation method 4 index used to identify instant release degradation method 1 index used to identify a non human biota 2 index used to identify a non human biota 3 index used to identify a non human biota 4 index used to identify a non human biota 5 index used to identify the mammal in the terrestrial animal types 6 index used to identify the bird in the terrestrial animal types 7 index used to identify the plant in the terrestrial animal types 1 index used to identify one of the three terrestrial animal food types 2 index used to identify one of the three terrestrial animal food type 3 index used to identify one of the three terrestrial animal food types 4 index used to identify the plant food type in the
87. PHYD3 HYWD hydrogen concentration in wooden building scalar SPHYD3 materials g kg HYWTR hydrogen concentration in water g m scalar SPHYD3 NHH tritium concentration in non human g kg MXNHUM SPHYD3 80 Table 6 34 Conversion Factors for Calculating Internal Dose INP File Parameter INDCF NHI SINGW THYIDN THYMAS Parameter ANIDCF NHADCF NHIDCF NHSDCF NHVDCF NHWDCF Parameter CNLIM CNTIME Definition Units Dimension Common Block internal dose conversion factor for 129 for scalar SPITHY thyroid specific activity model Sv a Bq kg iodine concentration in non human kg kg MXNHUM SPITHY concentration of stable iodine in water kg L scalar SPITHY iodine content of thyroid kg scalar SPITHY mass of thyroid kg scalar SPITHY Table 6 35 Non human Dose Conversion Factors INP File Definition Units Dimension Common Block animal internal dose conversion factor for 129 SPNDCF Gy a Ba kg non human air immersion dose conversion factor MXSPEC SPNDCF non human ingestion dose conversion factor MXSPEC SPNDCF Gy a Ba kg non human soil immersion dose conversion MXSPEC SPNDCF factor Gy a Bq kg non human vegetation immersion dose MXSPEC SPNDCF conversion factor Gy a Bq kg non human water immersion dose conversion MXSPEC SPNDCF factor Gy a Bq m Table 6 36 Other Input Parameters INP File Definition Units Dimens
88. RE n gt 1 MXSPEC NUCID n is the name of nuclide n including a wasteform identifier MXSPEC NUCSIM n is TRUE if nuclide n is to be simulated in the current simulation and FALSE Otherwise it must be set by the model MXSPEC NUCUSE n is a count of the simulations in the current case so far in which nuclide n was simulated fully it must be updated by the model MAXLCH PREIDX i n is the i th precursor of nuclide n MXSPEC for i from 1 to NOPRE n 1 lt PREIDX i n lt n NOPRE n i and PREIDX NOPRE n n n MXSPEC SECEQU n is TRUE only if nuclide n is in secular equilibrium with another nuclide Table J 2 SYVAC3 Version SV312 Nuclide Element and Constant Include Matrix Dimensioning Parameters SYVAC3 Description Value File INC Package MAXLCH MAXLCH TS Maximum length of any nuclide decay chain 10 MXSPEC MXSPEC SV Maximum number of nuclide species allowed 40 a case MXCHEM MXCHEM EC Maximum number of chemical elements among 25 nuclides allowed in a case MXMTRX MXMTRX SV Maximum number of matrix materials 2 129 Table J 3 SYVAC3 Element and Matrix Material Arrays Include Array Type Dimension Description where n is a valid nuclide chain index File Name e is a valid element index and m is a valid matrix material index ELMID ELMID CHAR 2 MXCHEM ELMID e is the name of the e th element e g Kr U Th MATRIX MATRX CHAR 4 MXMTRX MATRX m is the name of the m th m
89. SEQUENCES Nuclide Independent Parameters Nuclide Dependent Parameters VLT CQCNTA INC AMTCNT MXSPEC AMT ACCUM IN FAILED CONT Ac225 AMTCNT 001 NUM 1 0 RELEASE FROM VLT endfl dum17 VAREAS 25 040 amp 1 0 end of parameters for VLT CONSEQUENCES Nuclide Independent Parameters COGNET INC CQGCNT STORED CONSEQUENCES COUNTER COGCNT amp INT 1 AMT RELEASED FROM GEO dum17 RELGEO 040 amp 1 0 END end of CQ parameters for GEO GARISTO o M M A MOL M3 Y M M2 L KG MOI MOL QUANTITY MOL Y D ANDREA Y CHSHYOLKOVA Y CHSHYOLKOVA Y 1 Y 1 a Y Y al 1 101 CONSEQUENCES Nuclide Independent Parameters BIO COWSRC INC COMMON CQWSRC CNGDSR WARN WELL CHANGED TO LAKE CNGDSR AEn amp INT 1 SOIL REGR MODEL dum17 WREGTM 040 ELO amp INT rajt END end of CQ parameters for BIO END end of all parameter descr
90. SYVAC3 CC4 USER MANUAL NWMO TR 2011 22 June 2011 Kitson T W Melnyk L C Wojciechowski T Chshyolkova Atomic Energy of Canada Limited mIRRWTITIO NUCLEAR WASTE SOCI T DE GESTION MANAGEMENT DES D CHETS ORGANIZATION NUCL AIRES Nuclear Waste Management Organization 22 St Clair Avenue East 6 Floor Toronto Ontario 253 Canada Tel 416 934 9814 Web www nwmo ca SYVAC3 CC4 User Manual NWMO TR 2011 22 June 2011 Kitson T W Melnyk L C Wojciechowski T Chshyolkova Atomic Energy of Canada Limited iv Disclaimer This report does not necessarily reflect the views or position of the Nuclear Waste Management Organization its directors officers employees and agents the NWMOY and unless otherwise specifically stated is made available to the public by the NWMO for information only The contents of this report reflect the views of the author s who are solely responsible for the text and its conclusions as well as the accuracy of any data used in its creation The NWMO does not make any warranty express or implied or assume any legal liability or responsibility for the accuracy completeness or usefulness of any information disclosed or represent that the use of any information would not infringe privately owned rights Any reference to a specific commercial product process or service by trade name trademark manufacturer or otherwise does not constitute or im
91. T Element WAS EXPECTED IN FILE SorptionDataFile GETSOR Sorption data is out of order or missing in geosphere sorption fixed data file The data must have the same order of elements as the order of elements in the main input file in parameter INVPKG Check for use of the wrong sorption data input file reorder the input file or regenerate the sorption data file for this nuclide group using the input file generation tools 53 2 SPECIES NuclideName FOUND IN THIS GROUP DATA NOT USED GETF3D The nuclide name specified in the FRAC3DVS control file is not present in the nuclide group currently being simulated so the data for that nuclide is ignored STABLE NUCLIDE NuclideName FOUND FRAC3DVS DATA NOT USED SIMF3D A stable nuclide was found in the list of nuclides so the FRAC3DVS data will not be used and the data for that nuclide will be ignored TIME SCALE FOR CONSTANT CORROSION DISSOLUTION OF WASTEFORM lt ZEREQU SMCSCR The time for constant corrosion dissolution of wasteform TMDSSL is too small The check this value avoids a possible divide by zero error TIME SERIES TimeSeriesNumber HAS BEEN OVERWRITTEN AND CANNOT BE RETRIEVED SO FAR Number TIME SERIES HAVE BEEN STORED USING Number TIME STORAGE LOCATIONS RETTS The calculations continue normally Earlier less used time series will be overwritten To ensure the time series remains accessible it should be accessed put on the time series stack RETTS or the time
92. T OR OUTSIDE QUANTILE BOUNDS FOR LEACHC In the following example the warning message is used to simply report the current simulation number so that progress of a set of simulations can be monitored WARNING IN RUN f m SIMLAT BEGINNING SIMULATION Error messages usually indicate unusual conditions of a more serious nature With errors the run may either stop the run immediately complete some additional calculations and then stop stop this simulation and go on to the next simulation in the run or attempt to continue operating If a run is stopped no further calculations are done and no further results appear in the PAR and OUT files The status of each simulation is classed as e ACCEPTED if the simulation completed with all output results calculated e REJECTED if the simulation is stopped for problems with calculating dependent parameters No time dependent simulation is done In the PAR and OUT files not all dependent parameters are evaluated and all consequences have artificial values e ONHOLD if the simulation is stopped for problems during the time dependent part of the simulation The PAR and OUT files have all dependent parameters but all consequences have large positive values An example of an error message is shown below In this case a requested file MDNAA10 Q01 could not be opened by the Fortran module SKIP ERROR IN RUN f
93. ally only produced for cases with a small number of simulations because this file can become very big for large number of simulations the OUT file is more compact An example of the PAR file format can be found in Appendix G This file has been treated in the same manner as the main SYVAC3 CC4 input file in that it contains excerpts from the main input file For example although all parameters are present parameters in arrays have been represented by the first and last entry of the array Also repetitive entries such as Element dependent and Nuclide dependent blocks are represented by their first and last blocks This extraction was done to reduce the size of the listing 5 2 3 DoseFile DOS The SYVAC3 CC4 model places in the DOS file e the calculation order of the nodes of the geosphere network e asummary of the dose calculations performed in the biosphere and o Maximum dose and time of maximum from all nuclides up to the time limit of the simulation 3 52 o Maximum dose and time of maximum from all nuclides up to a user specified time in years o Maximum total dose from each individual nuclide and time of maximum up to a user specified time in years o Maximum total dose from each individual nuclide and time of maximum up to the time limit of the simulation atable of maximum element concentrations in six of the biosphere model compartments o Maximum chemical element concentration for each element for six biosphere
94. ameters are those final results of the simulation such as maximum total dose rate to humans These output parameters must be identified in the input file so that SYVAC3 knows which parameters to include in the PAR and OUT output files The available output parameters are also listed in this chapter 6 1 VAULT INPUT PARAMETERS The vault model obtains user supplied data through the INP file and the SOL FXD fixed data file This fixed input file is used for five elements U Tc Np Pu and Th whose solubility limits are calculated using thermodynamic relationships and a groundwater composition The vault input parameters are briefly discussed in the following sections and tables They are organized by topic for clarity here However they are ordered in the input file itself as shown in Appendix B alphabetically in two groups nuclide independent and nuclide dependent 6 1 1 UO Dissolution Rate Parameters Degradation of the UO fuel is driven by the presence of oxidative species created during radiolysis of the groundwater in the radiation field surrounding a fuel element or fragment The radiolysis contributions of all types of radiation alpha beta gamma are considered plus a threshold chemical dissolution rate The degradation rate of the fuel from each type of radiolysis is determined from empirical equations derived from the fitting of degradation rates The parameters used for this calculation in the vault model are listed in Table
95. and transport of radionuclides from used nuclear fuel in a deep geologic repository It includes the vault geosphere and biosphere in the vicinity of the site It is integrated with the SYVAC3 executive System Variability Analysis Code and the Modelling Algorithm Library ML to form the reference Canadian postclosure safety assessment computer code The version described here is SCC408 based on ML3 03 SYVAC3 12 and CC4 08 The CC4 vault model handles processes that occur in the wasteform container engineered barriers around an emplacement room and the adjacent Excavation Damaged Zone in the near field geosphere It interfaces with a far field geosphere by obtaining rock and groundwater properties from the geosphere model and providing a contaminant release rate to the geosphere model The CC4 geosphere model is a model for contaminant transport from specified locations in the vault to specified surface groundwater discharge locations including a well The geosphere model requires the pathways between these points to be provided from an external source in the form of either a set of hydraulic heads at defined nodes or groundwater velocities for segments of the pathways This transport path is then modelled as a set of 1 D transport segments or flow tubes that are connected together in 3 D space to form the transport network The CC4 biosphere model provides information on well depth and well pumping rate to the geosphere and receives infor
96. arriage control default traceback Runtime error checking selected items Array and string bounds Flawed Pentium processor Common Options inheritance description not available Default output carriage control default Runtime error checking custom Check for null pointers and allocatable array refs No Check Array and string bounds yes check bounds Check uninitialized variables no Check edit descriptor data type no Check edit descriptor data size no Check for actual arguments using temporary storage no The Code Accumulation method has the advantage of making compiling and linking very straight forward but the disadvantage that the source code is not directly traceable to the installed archive source directories Search List 137 When a Search List is used there is no need to physically copy or move the source code Instead links to the source code location are added to a Visual Fortran project The recommended method is to only add the FORTRAN subroutines FOR and allow the INCLUDE files INC to be picked up by the compiler through the search list This method does not actually move or copy the files but instead adds their location to a Make facility within the Visual Fortran environment The recommended search list for creation of the executable expects the executable to be built in and source code to be installed in the directory structure listed as follows Source CC408 CCCO
97. ata files Then it submits the simulation with the appropriate prompts deletes copied INCLUDE files and renames the new output files Although not explicitly listed here the full set of input files could include SVO1 INP SOLSVO1 FXD NETSV01 FXD SORSV01 FXD F3DSV01 FXD and MDNAA10 QNT Contents of Command File copy NinoN INC pause release SCC408 prompt dat gt 5 01 109 pause del inp rename SV100 rename SV100 rename SV100 rename 5 1001 rename SV100 rename SV100 rename SV100 DOS SV 01 DOS UB SV 01 GEO DS SV O1 VLT DS SV_01 BIO PT SV 01 1 AR SV 01 UT SV 01 0UT 0 Contents of Prompt Dat file SV01 N 98 99 APPENDIX B LAYOUT OF SYVAC3 CC4 MAIN INPUT FILE Below is an extraction from the SYVAC MEDIAN IHB input file median case simulation The input file was generated from the Fourth Case Study database 2011 01 Only the general format of the input file is included in this document as the entire input file would run to hundreds of pages Main Input File Input file generated by singen3 2 inT RepositorySafety FourthCaseStudy 4CS Eri gul 29 137206 05 2071 VERSION 01A Group HB Derived from database database SCC408 2011 01 Median 5 408 Output type choose LONG or SHORT Case title LONG Opt
98. ating total non human biota MXNHUM COWARN internal dose for nuclide has been lowered MXGDLN the groundwater dilution limit GWDLMT for at least one time point WMVDSC warning flag indicating modified discharge MAXLOC CQWARN volume is less than the modified discharge volume limit MVDSCL and has been set to zero TGWDLM _ time at which pathway doses become MXGDLN CQWRN2 meaningless because groundwater dilution limit was exceeded a TGWDNH time at which pathway doses become MXNHUM CQWRN2 meaningless for non human biota because MXGDLN groundwater dilution limit was exceeded a Dimension of MXGDLN accounts for C 14 36 and 1 129 in Fuel and Zircaloy Parameter AMTBIO AMTCNT AMTDSR AMTGEO ATICNT AMTVLT DCYBIO DCYCNT DCYDSR DCYGEO DCICNT DCYVLT INFBIO INGRBT INGRCT INGRDS INGRGT INGICT INGRVT MBRBIO RELBIO RELCNT RELDSR RELGEO RLICNT RELVLT 94 Table 6 56 Mass Accumulation and Distribution Parameters Amount accumulated in biosphere mol Amount accumulated in failed containers mol Amount accumulated in downstream release mol Amount accumulated in geosphere mol Amount accumulated in intact containers mol Amount accumulated in vault sealing materials and EDZ mol Definition Units Amount decayed in biosphere mol Amount decayed in failed containers mol Amount decayed in downstream release mol Amount decayed in geosphere mol Amount decayed i
99. atrix material e g FUEL ZRLY MIDXN INTEGER MXMTRX MIDXN m is a nuclide number pointing to a nuclide with properties that define those of the m th wasteform MIDXP INTEGER 5 MIDXP m is a nuclide number pointing to the nuclide in parameter order with with properties that define those of the m th wasteform NMATRX INTEGER scalar Number of matrix materials in the input chains list 1 lt NMATRX lt MXMTRX NUCIDX ELMIDX INTEGER MXSPEC ELMIDX n is an element index between 1 and NELMNT indicating the element to which nuclide n belongs NIDXM INTEGER MXSPEC NIDXM n is a matrix material index between 1 and NMATRX indicating where nuclide n is found NELMNT INTEGER scalar Number of elements among the nuclides in the input file Table J 4 SYVAC3 Simulation Status Flags ACCEPT ONHOLD Simulation Sampled Dependent Consequence DEPPAR SIMLAT State Parameters Parameters Parameters Status Status Status Sampled Artificial values FALSE NA Rejected normally Not defined TRUE TRUE On hold Sampled Calculated Very large values normally normally Sampled Calculated Calculated normally TRUE FALSE Accepted normally normally 130 131 APPENDIX INSTALLATION OF SYVAC3 CC4 K 1 SOURCE CODE The SYVAC3 CC4 reference source code FORTRAN and INCLUDE files should be obtained from an official source and placed under configuration management in the user s software system The current version of SYVAC3 CCA
100. ault mol MXSPEC DPINVT NCONFS number of failed containers in each vault sector J MAXSEC DPIFRT PORDZC porosity in damaged zone scalar DPPORD TNCONV total number of containers in the vault scalar DPIFRT SOLUNX nuclide solubilities mol m MXSPEC DPSOLM SOLUNN calculated nuclide solubility mol m MXSPEC DPSOLU TWSTFM initial mass of wasteform in vault kg MXMTRX DPRACU 82 Table 6 38 Geosphere Network Output Parameters Parameter Definition Units Dimension Common Block DRAWDN hydraulic head drawdown m MAXNOD DPNODS MNHEAD modified hydraulic head m MAXNOD DPNODS RETGEO retardation factor MXCPCL MXCHEM DPRETG SGGWVH average linear groundwater velocity m a MAXSEG DPSEGS SGLNTH segment length m MAXSEG DPSEGS SGSFRA final source fraction MAXSEG DPSEGS Table 6 39 Discharge and Well Model Output Parameters Parameter Definition Units Dimension Common Block LASRET retardation factors for the last geosphere DPLSRT segments leading to a biosphere MXCHEM discharge MAREAD eee discharge area from geosphere MAXLOC DPVDSC m MVDISC modified annual discharge volume from MAXLOC DPVDSC geosphere OVWDPT overburden well maximum depth m scalar DPWELL QWCAP volumetric well capacity scalar DPWELL QWDEM volumetric demand on well scalar DPWELL QWSUR surface water flow into well scalar DPWELL SEDKD sediment distribution coeff L kg MAXLOC DPSDKD MXCHEM SEDPR sediment poro
101. complexing species associated with the 5 elements uranium thorium technetium plutonium and neptunium Each parameter element combination can have zero or more entries corresponding to the number of element species Geosphere Network File The geosphere network file defines the layout of the geosphere transport network Through this file a simple or complex geosphere can be defined without any required code modification An example of the complete network file is in Appendix E This network is made up of nodes connected by one or more segments which define the flow path of contaminants in the geosphere model from the vault source nodes through to the biosphere discharge nodes The CC408 geosphere model allows a maximum of 200 segments 200 nodes 10 biosphere discharge nodes 25 vault source nodes 20 different sorption minerals 2 redox states of groundwater for each segment 20 chemical property classes for segments and 20 physical property classes for segments If the maximum number of sources discharge locations nodes or segment is not used the remainder of each input section must be filled with zeroes The network input file is made up distinct input sections as seen in Appendix E Geosphere Sorption File An excerpt from the geosphere sorption input data file can be found in Appendix F The format for the coefficients is given at the top of the file Data for each element must begin with a character string of length 2 in uppercase
102. concentration activity of a MXSPEC CQCHN2 toxic non radionuclide radionuclide consumed due to contaminated fish up to TLIMIT years a TMXLPL time of maximum concentration activity of a MXSPEC CQCHN2 toxic non radionuclide radionuclide consumed due to contaminated leaves up to TLIMIT years a TMXLPR time of maximum concentration activity of a 5 CQCHN2 toxic non radionuclide radionuclide consumed due to contaminated roots up to TLIMIT years a RNTOX index to indicate radionuclide or toxic non MXSPEC CQCHNI radionuclide Parameter DMST FORG PTBG VEGE WDLT 92 Table 6 54 Biosphere Water Source Output Parameters Definition Units Dimension index used to identify domestic source of water MXBSTA index used to identify field type index used to identify the peatbog index used to identify the vegetable patch index used to identify the woodlot MXBSTA MXBSTA MXBSTA MXBSTA Common Block CQWSRC CQWSRC CQWSRC CQWSRC CQWSRC 293 Table 6 55 Biosphere Warning Output Parameters Parameter Definition Units Dimension Common Block WCNLIM warning flag indicating peak compartment MXSPEC CQWARN concentration MXLCN is greater than the NCOMP maximum allowed limit CNLIM WGWDLM warning flag indicating total internal dose for MXGDLN CQWARN nuclide has been lowered to the groundwater dilution limit GWDLMT for at least one time point WGWDNH warning flag indic
103. concentration activity of a toxic non MXSPEC radionuclide radionuclide consumed due to contaminated leaves up to TLIMIT years quantity maximum concentration activity of a toxic non MXSPEC radionuclide radionuclide consumed due to contaminated roots up to TLIMIT years quantity time of maximum concentration activity of a toxic NANIML non radionuclide radionuclide of consumed animal MXSPEC due to contamination in air up to TLIMIT years a time of maximum concentration activity of a toxic NANIML non radionuclide radionuclide of consumed animal MXSPEC due to contamination in leaves up to TLIMIT years a Common Block CQCHN1 CQCHN1 CQCHN1 CQCHN1 CQCHN1 CQCHN1 CQCHN1 CQCHN1 CQCHN2 CQCHN2 91 Table 6 53 Maximum Activity in Food chain Output Parameters concluded Parameter Definition Units Dimension Common Block TMXLAR time of maximum concentration activity of a NANIML CQCHN2 toxic non radionuclide radionuclide of MXSPEC consumed animal due to contamination in roots up to TLIMIT years a TMXLAS time of maximum concentration activity of a CQCHN2 toxic non radionuclide radionuclide of MXSPEC consumed animal due to contamination in soil up to TLIMIT years a TMXLAW time of maximum concentration activity of a NANIML CQCHN2 toxic non radionuclide radionuclide of MXSPEC consumed animal due to contamination in water up to TLIMIT years a TMXLF time of maximum
104. ctive mode the executable file name is invoked SYVAC3 CC4 will return with a copyright screen and ask for the 4 letter designation of the input file which must be in upper case For example the input file might be SVO1 INP in which case the input file name entered is SVO1 The code will then ask if this is a new run or restart run The response is either N n R or r depending on the answer Appendix A contains an example command file that copies into an existing directory all required files submits the simulation renames the output files to an appropriate name and then deletes the INCLUDE files that are no longer needed from the directory 3 2 RESTART PROCEDURE It may be desired to restart and continue a multiple run simulation generally these are probabilistic runs but this is not required In order to restart the simulation all input files listed in Table 5 1 must be available as well as all output files listed in Table 5 5 except for time series files which are not required for a restart The simulation is then resubmitted with a R or for Restart replacing the N or n for New in the prompt file Appendix A The original output files will be appended except for the LPT file which is overwritten Caution should be used when performing a restart and it is advised that a new directory be used with a copy of the output files be used rather than the originals since if the restart fails it may damage these files General
105. ctor for concentration MXMNRL SPCNER logarithmically distributed in range 0 1 10 0 MXCHEM COLLKD sorp coeff for element on colloid L kg MXCHEM SPCOLL COLLRT colloid retardation factor MXCPCL SPCOLL DIFFN free water diffusion constant of element MXCHEM SPDIFN ELOXDV depth of redox divide m scalar SPWCHM KDRAER error factor for Kd logarithmically distributed in MXMNRL SPKDER range 0 1 10 0 MXCHEM SGCOLL concentration of colloids kg L MXCPCL SPCOLL SGMNRL fractional mineral content MXMNRL SPRCHM MXCPCL SGSALN salinity of groundwater kg m MXCPCL SPWCHM Parameter AREAD DISFRA THIKOV THIKSS Definition Units Area of discharge m Note Set to total MAXLOC aquatic plus terrestrial discharge area for aquatic discharges and ignored for terrestrial discharge Aquatic terrestrial split set via DISFRA Fraction diverted to discharge MAXLOC thickness of overburden layer m MAXLOC thickness of sediment layer m MAXLOC Table 6 17 Geosphere Biosphere Interface Input Parameters INP File Dimension Common Block SPAREA SPDSFR SPSSOV SPSSOV 72 Table 6 18 Water Property Input Parameters INP File Parameter Definition Units Dimension Common Block COMWAT compressibility of water scalar SPWATR DENA coefficient A for water density equation K scalar SPWATR DENB coefficient B for water density equation K scalar SPWATR DENREF density of water at 6 C kg m scalar SPWATR RHOO
106. culated 6 head permeability and temperature input both hyd conductivity and velocity calculated using buoyancy terms chemical property class MAXSEG FPSEGS input node number MAXSEG FPSEGS output node number MAXSEG FPSEGS physical property class MAXSEG FPSEGS Boundary condition identifier MAXSEG FPSEGS 1 semi infinite medium 2 mass transfer coefficient 3 zero concentration b c 4 flow passed unchanged 5 MULTIC compartment model mimic a semi infinite b c 6 MULTIC compartment model mimic a zero concentration b c Segments that are in open talik passing through MAXSEG FPSEGS permafrost code number for glaciation state permafrost talik MXGSTA FPGLAC presence 0 no frozen ground no talik possible 1 frozen ground permafrost but no open talik 2 frozen ground permafrost with open talik 69 Table 6 14 Geosphere Fixed Node Input Parameters NET FXD File Parameter Definition Units Dimension Common Block NODEA node list for well aquifer nodes MAXNOD FPNODE NODEB node list for biosphere discharges MAXLOC FPNODE NODEC node list for consequences MAXNOD FPNODE NODEO node list for calculation order of output nodes MAXNOD FPNODE NODES node list for source nodes 2 MAXSEC FPNODE NODEV node list for vault nodes which are affected by MAXNOD FPNODE well drawdown NODWL well lower reference node scalar FPNODE NODWU well upper reference node scalar FPNODE SECNO vault s
107. d PARAMETER ParameterName S IN COMMON BLOCK CommonBlockName BUT NOT IN THE INPUT FILE CHECKI The indicated parameter is in a submodel common block but not found in the input file The list of SP DP and CQ INCLUDE files in the input file is inconsistent with the lists of parameters in the sampling methods PECLET NUMBER Number IN SEGMENT SegmentNumber TOO SMALL FOR MATRIX DIFFUSION MATDEP 20 Peclet number is less than 1 so no matrix diffusion effects are applied POROSITY DUE TO MICROFRACTURES HAS A VALUE OF PorosityValue WHICH IS OUTSIDE THE ALLOWABLE RANGE OF 0 TO 1 SIMULATION TERMINATED MATDEP Non physical value of porosity The fracture porosity is determined from the ratio SGFAPT SGFSPA Check the values of sampled parameters SGFAPT and SGFSPA POROSITY OF MATRIX HAS A VALUE OF Value WHICH IS OUTSIDE THE ALLOWABLE RANGE OF 0 TO 1 SIMULATION TERMINATED MATDEP Non physical value of porosity Check the values of the sampled parameters SGPROS SGFAPT and SGFSPA RESPONSE AREAS FOR Nuclide VAULT SECTOR SectorNumber ARE Value OR ErrorValue VS SYVAC Value OR ErrorValue SIMTRA The indicated response function time series for transport through the vault is outside the results of a bounding test performed by SYVAC3 based on the area under the time series If this warning occurs it generally requires no action although the user should check the relative values to see if the discrepancy is large enough to
108. d corresponding to the room length The contaminant source is modelled as a point source located along the central axis The model is not sensitive to its axial position Excavation Damage Zone Point Source Pinhole Backfill Buffer Figure 2 1 Emplacement Room Model Geometry 2 4 Groundwater Flow Through Vault Permeability in the buffer is taken to be small so there is no groundwater flow However groundwater velocities are modelled in the backfill EDZ and surrounding rock In these media each sector has a uniform radial and axial flow The groundwater flow rates in the rock are taken from the values supplied by the geosphere model The backfill and EDZ flow components are calculated by a Darcy s law Johnson et al 1996 The actual groundwater flow within the vault would not be radial but an effective radial flow rate within the buffer and backfill is estimated based on the rock groundwater flow orthogonal to the room axis The groundwater flow should be compared with results from a more detailed model such as a finite element model to determine the level of agreement For example comparison with finite element solutions to the 3 dimensional convection dispersion equations shows agreement within a factor of two in integrated flows out of the vault for conditions similar to those in the Second Case Study Johnson et al 1996 2 4 3 Transport Through Buffer Backfill and EDZ The release rate from the failed conta
109. d Fortran No Treat Fortran Standard warnings as Errors No OpenMP Diagnostic level default Auto Parallelizer Diagnostic Level Default Vectorizer Diagnostic level Default Disable specific diagnostics blank Emit diagnostics to file No Diagnostics file IntDir TargetName diag Generate Interface Blocks Yes gen interfaces LANGUAGE USAGE Compile time Diagnostics Custom Warn for Undeclared symbols No Warn for Unused Variables No Warn When removing LOC No Warn When truncating source line No Warn for Unaligned data Yes Warn for Uncalled Statement Function No Suppress Usage message No Check routine interfaces No 134 Compaq Visual Fortran 6 6 Intel Visual Fortran 11 1 OPTIMIZATION Optimization Diagnostic Level Disable Emit Optimization Diagnostic to file No Optimization Diagnostic File blank Optimization Diagnostic Phase All optimizer phases Optimization Diagnostic Routine blank SOURCE CODE ANALYSIS Level of Source Code Analysis None Level of source code parallelization None Analyze include files No DEBUG DEBUGGING diff title Debugging Level Full Compile DEBUG D lines blank Use program database for Debug Information checked Program Database PDB path Debug DF60 PDB Common Options inheritance description not available Debugging Level Full debug full Enable Parallel Debug Checks no Information for PARAMETER constants None
110. database subscript 58 Pa database subscript 62 Pb database subscript 63 Po database subscript 66 Pu database subscript 69 Ra database subscript 70 Rn database subscript 74 Se database subscript 79 Tc database subscript 86 Th database subscript 88 U database subscript 92 Data for element SORCO0O 01 01 01 oxidizing granite g Ac amp 0 0 0 0 0 0 0 0 0 0 amp 3000 1 2 0 0 0 0 2 7 SORCOO 02 01 01 reducing granite g Ac amp 0 0 0 0 0 0 0 0 0 0 amp 3000 1 2 0 0 0 0 2 7 SORCOO 01 02 01 oxidizing montmorillon Ac amp 0 0 0 0 0 0 0 0 0 0 amp 150 1 3 0 0 0 0 2 6 SORCO0O 02 02 01 reducing montmorillon Ac amp 0 0 0 0 0 0 0 0 0 0 amp 150 1 9 0 0 0 0 2 6 SORCOO 01 03 01 oxidizing gabbro ga Ac amp 0 0 0 0 0 0 0 0 0 0 amp 1500 1 2 50 00 02 03 01 amp 0 0 0 0 amp 1500 2 2 50 00 01 04 01 80 0 0 0 82400 3 50 00 02 04 01 amp 0 0 0 0 amp 2400 3 508 00 01 05 01 amp 0 0 0 0 amp 5400 3 50 00 02 05 01 amp 0 0 0 0 amp 5400 3 508 00 01 06 01 amp 0 0 0 0 amp 600 1 50 00 02 06 01 amp 0 0 0 0 amp 600 1 50 00 01 07 01 amp 0 0 0 0 amp 2000 0 5 50 00 02 07 01 amp 0 0 0 0 amp 2000 0 5 508 00 01 08 01 amp 0 0 0 0 amp 0 0 amp 0 T 5 00 00 00 00 amp 0 0
111. de Dose Series and Combined Dose Series When it became clear that some models were using these files in other ways the definitions were downplayed although the extensions remain In the SYVAC3 CC4 model the CDS file is used for the vault model INROC time series the SUB is used for the geosphere model GEONET time series and the NDS file for the biosphere model BIOTRAC2 time series Time Series trace files can be quite large since each Time Series representation can take tens to a few hundred lines Usually trace files are produced for only a small number of simulations However a model could be designed to produce only a small number of time series in a trace file The SHOWTS flag determines if time series for intermediate results should be written in the output file setting SHOWTS 1 will limit the number of time series in the output file for the geosphere and biosphere submodels That file could be used with a larger number of simulations Also time series output can be removed out of the time series file using a standard ASCII editor This file can be taken into a number of analysis packages such as Excel or S Plus for presentation and analysis 51 Vault CDS In order to fully understand the time series results for the vault model one must trace or follow the generation of time series through the vault source code and the explanations given in the CC4 Theory Manual Essentially the vault code produces the time series by firs
112. defined times used in outputting a time series to the PAR and OUT files 25 3 EXECUTION OF SYVAC3 CC4 This section assumes the existence of a SYVAC3 CC4 executable See Appendix for information on creating the executable For more information on changing the code see the programmer s guide in Appendix J 3 1 NORMAL RUN For a simulation the user must supply the main input file certain system model INCLUDE files and the Solubility Sorption and Geosphere fixed parameter and network data files All the possible types of SYVAC3 CC4 input files are listed in Section 5 1 note that all are not required Input files may be obtained by modifying existing files or by use of special input file preparation tools It is worth noting that the input parameters are provided as probability distribution functions to account for their uncertainty and for possible use in probabilistic simulations although a constant value is also supported More information on the parameter distributions supported by SYVAC3 is provided in Andres 1993 The user must first create a directory in which to execute the simulation Then the user must copy into this directory the required input files listed in Table 5 1 This includes the SP INC DP INC and CQ INC files since they are needed by SYVAC3 during execution Once these files are in place the simulation can be run in either batch mode using a command file or interactively from the MS DOS prompt In intera
113. dependent parameters are calculated from values stored in the vault sampled parameter variables or other dependent parameters Table 6 37 lists all dependent parameters calculated by the vault model Table 6 37 contains the parameters that are calculated by the geosphere model and passed to the vault 6 4 2 Geosphere Dependent Parameters The geosphere model dependent parameters used for calculations within the geosphere model are presented in Table 6 38 This table contains the dependent parameters that are indexed by node segment and property class 6 4 3 Geosphere Biosphere Interface The geosphere biosphere model interface mainly passes information regarding the discharge locations The discharge and well model dependent parameters are listed in Table 6 39 6 4 4 Geosphere Vault Interface The Geosphere Vault interface parameters are listed in Table 6 40 This table lists the parameters determined in the geosphere that are required by the vault model 6 4 5 Biosphere Dependent Parameters The dependent parameters defined and used in the biosphere model are presented in three tables as follows e Table 6 41 biosphere transport model e Table 6 42 biosphere dose model e Table 6 43 biosphere irrigation model 65 CONSEQUENCES PARAMETERS Consequence parameters are initialized to zero However if a simulation is not accepted SYVACS3 assigns an artificial value to all consequence parameters typically 1 59 6 5 1 Vault Consequ
114. des for drawdown calculation amp T 2 3 4 VO 11 12 13 15 756 310 amp Ihe 8 2222 22 73 24 25 276 2 76 lt 4420 amp 29 32 33 34 35 36 37 38 39 40 130 amp 41 42 43 46 47 56 57 149 48 49 40 amp 50 51 52 53 54 55 59 60 61 62 150 amp 63 64 65 66 67 68 69 70 77 78 60 amp 79 80 81 82 0 0 0 0 0 0 170 amp 0 0 0 0 0 0 0 0 0 0 180 amp 0 0 0 0 0 0 0 0 0 0 90 amp 0 0 0 0 0 0 0 0 0 0 1100 amp 0 0 0 0 0 0 0 0 0 0 110 amp 0 0 0 0 0 0 0 0 0 0 1120 amp 0 0 0 0 0 0 0 0 0 0 1130 amp 0 0 0 0 0 0 0 0 0 0 1140 amp 0 0 0 0 0 0 0 0 0 0 1150 amp 0 0 0 0 0 0 0 0 0 0 1160 amp 0 0 0 0 0 0 0 0 0 0 1170 amp 0 0 0 0 0 0 0 0 0 0 1180 amp 0 0 0 0 0 0 0 0 0 0 1190 amp 0 0 0 0 0 0 0 0 0 0 1200 amp nodes in well aquifer bounding well position upper then lower amp 1535 amp list of biosphere discharge nodes amp 129 130 131 132 133 0 0 0 0 0 10 amp code number for biosphere discharge amp 1 AQUA aquatic discharge amp 2 WELL well discharge amp 3 TERR terrestrial discharge amp 4 swamp or bog discharge amp 5 GAS gaseous discharge amp 9 TOTL a total discharge amp 2 3 1 3 0 0 0 0 0 10 amp list of nodes for determination of geosphere consequences amp 2 11 16 22 33 47 60 78 86 89 110 amp 74 104 108 129 130 131 132 133 0 0 120 amp 0 0 0 0 0 0 0 0 0 0 130 amp 0 0 0 0 0 0 0 0 0 0 140 amp 0 0 0 0 0 0 0 0 0 0 150 amp 0 0 0 0 0 0 0 0 0 0 160 111
115. dex used in the FRAC3DVS control input file is either less than 1 or greater than NBLOC and therefore invalid so the FRAC3DVS data is ignored DISCHARGE LOCATION TYPE LocationType HAS NO SEDIMENT LAYER GEODEP A sediment layer is normally expected for an aquatic discharge type AQUA or a wetland discharge type BOG but none has been found DISCHARGE LOCATION TYPE LocationType SHOULD NOT HAVE A SEDIMENT LAYER GEODEP Sediment should occur only under aquatic discharges such as lakes and streams AQUA or wetlands BOG This warning occurs if a sediment layer is found associated with another discharge type such as terrestrial TERR or gaseous GAS FRAC3DVS CONTROL FILE FOUND FOR THIS SIMULATION GETF3D Message for information only This message tells the user that the FRAC3DVS data will be used in this simulation If the user does not want FRAC3DVS data to be used then the F3D FXD file must be removed from the set of input files required for the simulation FRAC3DVS DATA FOR SPECIES NuclideName EXPECTED IN DATA FILE FileName GETF3D Message for information only This message tells the user that the FRAC3DVS data for a particular nuclide is expected in a certain file 28 FRAC3DVS DATA USED FURTHER USE IGNORED GETF3D The FRAC3DVS data was read and used for the first simulation in this case other simulations will use CC4 data GEONET DISCHARGE LOCATION LocationType ASSOCIATED WITH FRAC3DVS FRAC3DVSSliceLabel GETF3D
116. e SOR FXD COULD NOT BE OPENED GETSOR The sorption datafile SOR FXD could not be opened The run is stopped Check the name location and protection of the input sorption file SPECIAL UO2 CO3 3 4 SPECIES NOT FOUND SOLCRR There is a problem with the Uranium species list used for calculating Uranium solubilities The specified Uranium carbonate species must be present in the solubility calculation Correct the data in the files for MNUM and the Pn variables The user will not normally see this error 38 message unless an inconsistent incorrect revision is made to the solubility calculation and or database STABLE NUCLIDE NuclideName IS NOT AT THE END OF A CHAIN DEPPAR A nuclide has a half life greater than the maximum allowed value of MXHLIF 1 0E 30 years indicating it is a stable nuclide and it is not found at the end of a decay chain This condition is invalid a stable nuclide can have no further progeny The run is stopped Correct the chains list or correct the values for HLIFE in the main INP input file SUM OF LOSS RATES IS LESS THAN OR EQUAL TO ZERO RSPNLW The total loss rate from the lake water must be greater than zero but an invalid value was found The run is stopped The loss rate is calculated from SEDSOR NUC AREATE RUNOFF AREAAQ LD DECAY NUC DEGASL NUC Check values for related sampled parameters SUPPLY AQUIFER HYDRAULIC CONDUCTIVITY IN SGHYCO FOR SEGMENT SegmentNumber ADDWEL
117. e scalar SPSTYP FLRALS effective loss rate from surface soil due to flora scalar SPRNFD and fauna related soil turbation m a LAYRR depth of the surface soil layer m MXBSTA SPSOIL LCHFAC leaching rate fraction for upland soils MXBSTA SPSOIL LPARTM rate of deposition of lake sediments scalar SPLAKE kg m a MOIST surface soil moisture content m m NSOIL SPSOIL NFBS exponent for groundwater effective uplow rate scalar SPRNFD NSED thickness of new sediment m scalar SPTSED PROSED indicates whether sediment is used as soil MXBSTA SPSSWT 0 Yes 1 QIRR field demand MXFELD SPQIRR NSOIL MXBSTA RNOFFD inflow of uncontaminated water into discharge SPRNFD from adjacent areas SD depth to water table m MXBSTA SPSOIL SBD surface soil bulk density kg m NSOIL SPSOIL SDLOW minimum depth to water table for upland soil scalar SPSOIL model otherwise use shallow soil model m SEDBD sediment bulk density kg m scalar SPLAKE SEDSOR rate of removal of nuclide from lake water to the MXCHEM SPLAKE sediment 1 a MXBSTA SKD radionuclide distribution coefficient in surface soil SPSOIL L kg NSOIL THSED thickness of accessible sediment in lake m scalar SPTSED WSD water summer deficit in surface soil m a scalar SPRNFD Parameter AADL ADLT BLDHT BLDWI CLEFRQ DEGASL DEGASS DISA1 DISA2 DIST1 DIST2 DIST3 EMFRAC FIRFRQ INDRN INFILT RELFRC SO
118. e It indicates a programming error The run is stopped Consult the code owner UNIDENTIFIABLE VAULT RELEASE TYPE ReleaseType AT POSITION Number SIMGEO There is an error in the geosphere network NET FXD file The run is stopped Release type from the vault to the geosphere must be GAS or AQUA Correct the information in the network file UNIT NUMBER OUT OF RANGE OPENFL The FORTRAN file unit number is out of range It indicates a programming error The run is stopped Consult the code owner VALUE OF DECAYF Value IS TOO SMALL LEAFCN LEAFDS NHEXDS NHINDS The removal rate from plants is too small The run is stopped Check the values of parameter XPHLIF WELL AQUIFER NODE NOT FOUND AS SEGMENT OUTLET NODE ADDWEL There is an error in the geosphere network NET FXD file The run is stopped A node adjacent in the network to the well discharge node to the biosphere the well aquifer node was not found in turn as an outlet node for a segment Correct the segment and node information in the network file 41 WELL COLLECTION NODE NodeNumber NOT FOUND AS OUTLET NODE OF A SEGMENT ADDWEL There is an error in the geosphere network NET FXD file The run is stopped The segment and node connectivities near to the well nodes are incorrect Correct the segment and node information in the network file WELL DEMAND GREATER THAN WELL CAPACITY WELDEP The well demand requested by the biosphere model exceeds the maximum allowed by t
119. e Capture Fractions 13 Hydrodynamic Dispersion Coefficient seen 13 I Aloe a 14 Spatial Variation of Transport Parameters 14 Retardation Factors ice ee te Oe RE 14 Other Site Specific Effects of the Well 15 Converging and Diverging Flow 15 Matrix DiIffUSION cpu ecce La aioe do Atle cael 15 Surface Discharge i i m AH 16 Segment Boundary Conditions 2 16 Geosphere Biosphere Interface 16 2 5 17 2 5 18 2 6 1 2 6 2 2 6 3 2 6 4 2 6 5 2 6 6 2 6 7 2 6 8 2 7 1 2 7 2 2 7 3 2 8 2 8 1 2 8 2 2 9 1 2 9 2 3 1 3 2 4 1 _ lI gt N OT OU oO IIo BONA 5 2 5 6 1 6 1 1 viii Gan cT 17 PRAGSDV S Data Geo rr tos Gta vies 17 BIOSPHERE MODE 17 Concentrations in Surface Lake 17 Concentrations in Lake 18 Concentrations in Surface Soil sss 18 Use of Sediments in
120. e any time dependent calculations are performed DEPPAR also sets certain parameters which indicate how a nuclide is to be treated in a given simulation Specifically it sets NUCSIM NUCCHN to FALSE if it is determined that the nuclide indexed by NUCCHN should not be simulated e g if the inventory is negligibly small It also increments NUCUSE NUCCHN once each simulation to indicate how many times NUCCHN was simulated in a given run Another function of DEPPAR is to check the input and dependent parameters to ensure that they fall within the domain of application of the model J 6 RUN SYSTEM MODEL SIMLAT The top level system model routine SIMLAT FOR is called by SYVAC3 to run the time dependent system model for one simulation with a defined set of sampled values provided for all input parameters calculated values for dependent parameters default values for consequence parameters and time series reset SIMLAT then calls further FORTRAN modules to perform the model calculations In the course of the calculations control may be passed back and forth between lower level SYVAC3 and system model routines but eventually control is passed back to SIMLAT When the simulation is finished SIMLAT returns control to SYVAC3 which then writes results to output files and if requested sets up for another simulation starting with re sampling the input parameters It is recommended practice to call the SYVAC3 routine ZAPTSS to initialize t
121. e bounds of the distribution in the input file If they lie outside the bounds the value is accepted but a warning message is printed The files used for quantile and on file sampling must be in standard ASCII format Each must contain at least enough values in each logical record to assign one to each parameter using the sampling method Dependent parameters all appear in one or more sampling method groups each of which is labelled CALCULATED Consequences appear in one or more sampling method groups under the label CONSEQUENCES In each case there is one record per variable These records establish the names units and a few other attributes of each variable Table 5 4 shows one way an input file could be structured The details of the records used to store data about the three types of variables are dealt with in subsequent sections Note that the file includes two random methods a quantile method and an on file method This means in any given simulation some sampled parameters receive values from one pseudorandom sequence while others receive values from a different pseudorandom sequence from a different pseudorandom number generator Meanwhile other parameters receive values calculated from cumulative probabilities from input file VQINP SMP while others receive values directly from input file VOFINP ONF 5 1 6 Sample Files Sample files provide values for sampled parameters in QUANTILE and ON FILE sampling methods QUANTILE sample file
122. e name IntDir Common Options inheritance description not Assembler Output No listing available ASM listing name IntDir OPTIMIZATIONS OPTIMIZATIONS 274 in list here 136 Compaq Visual Fortran 6 6 Intel Visual Fortran 11 1 Optimization level None None selected in box Math library Check Loop unroll count blank Inlining blank Preprocessor to Optimize for Blend Optimization Disable Od Inline Function Expansion Disable Favor Size or Speed Default Omit Frame pointers No Loop unroll count blank Parallelization No Threshold for Auto Parallelization 100 Threshold for Vectorization 100 Prefect insertion Disable I O buffering No Heap Arrays blank Interprocedural Optimization No PREPROCESSOR PREPROCESSOR Predefined preprocessor symbols blank Default INCLUDE and USE path source directory Module Path blank INCLUDE and USE Paths this is where we put the searchlist Use FPP blank Preprocess source file No Additional include directories blank Ignore standard include path No Default INCLUDE and USE path source file directory Preprocessor definitions blank Undefine Preprocessor definitions blank Undefine All Preprocessor definitions no Preprocessor definitions to FPP only no OpenMP Conditional Compilation yes RUNTIME RUNTIME Generate Traceback information checked Generate Traceback information yes Default output c
123. e values replace th xisting values with new ones o add more species labels files add new line s following the existing lines and use the same format Any modifications to this file structure or format are not allowed 003 AUG 05 VERSION 01 CC404 F3D geosphere model 004 JUN 23 VERSION 02C T MELNYK CC405 F3D geosphere model 2004 JUL 19 VERSION L WOJCIECHOWSKI CNG05 testing ID for FRAC3DVS Run from which the data was obtained file names and species labels in FRAC3DVS and their corresponding NUCLID ID in SYVAC3 unique part of file name only given extension assumed to be FXD and FRAC RUN ID assumed to be included for example with Unique FILENAME ID nn file F3D xxx nn FXD is assumed Unique FILENAME ID SPECIES LABEL NUCLIDE ID 01 1 129 FUEL 1 02 1 238AFUEL 1 amp 02 2 U 234AFUEL 1 02 3 TH234AFUEL bga TOt di NP237AFUEL Nee SOS 2 U 233AFUEL FRAC3DVS slice labels indicator whether fluxes need sign reversal and their corresponding discharge location indices in CC4 as numbered in SUBLABEL GEO and NET FXD FRAC3DVS slice label Flip sign GEONET Discharge INDEX wel YES 1 well amp NO 2 lake aqua amp lak NO 3 lake terr 8 riv NO 4 river aqua 8 NO 5 river terr amp str NO
124. econd Case Study postclosure safety assessment Goodwin et al 1996 Table 1 1 summarizes the main features and differences of the two repository concepts modelled in the EIS and Second Case Studies respectively In these studies CC3 and CC4 were used to estimate the average peak dose rate and time of peak dose rate to both human and non human biota for these two repository concepts They were also used for sensitivity studies CC4 is made up of the INROC vault GEONET geosphere and BIOTRAC2 biosphere submodels which were combined under the SYVAC3 executive code At the time of the Second Case Study the code was labelled PR4 indicating that it was the prototype version of the present CC4 code Subsequent to the completion of the Second Case Study the review of the changes was completed and the system model was released as CC4 02 Subsequently in CC4 03 the soil model was changed to a single surface soil compartment model for greater transparency and consistency with other safety assessment models CC4 04 was used as part of OPG s Third Case Study TCS project Gierszewski et al 2004 Version CC4 05 was used as part of OPG s Horizontal Borehole Case HBC Study project Garisto et al 2005 Version CC4 07 was used as part of a recent NWMO Glaciation Study project Garisto et al 2010 Some of the examples used in this User Manual are drawn from these studies although they are not necessarily from the final reference cases 1 4 DEFINIT
125. ector numbers connected to each source 2 MAXSEC FPNODE node TYPNOD code number for type of biosphere discharge FPNODE TYPSEC code number for type of vault release 2 MAXSEC FPNODE 70 Table 6 15 Sorption Fixed Input Parameters SOR FXD File Parameter Definition Units Dimension Common Block SORCOO coefficient for constant Kd term L kg MXOXST SORDAT MXMNRL MXCHEM SORCO 1 coefficient for linear term in salinity L kg MXOXST SORDAT MXMNRL MXCHEM SORCO2 coefficient for linear term in nuclide MXOXST SORDAT concentration L kg MXMNRL MXCHEM SORCO3 number of orders of magnitude of variation in MXOXST SORDAT calculated Kd MXMNRL MXCHEM SORCOA geometric mean of nuclide concentration MXOXST SORDAT mol L MXMNRL MXCHEM SORCO5 number of orders of magnitude of variation in MXOXST SORDAT nuclide concentration MXMNRL MXCHEM SORCOG6 normalization factor to give contribution to SORDAT retardation factor kg L MXMNRL MXCHEM SORC11 coefficient for quadratic term in salinity L kg MXMNRL SORDAT MXOXST MXCHEM SORC12 coefficient for cross term in salinity and MXOXST SORDAT nuclide concentration L kg MXMNRL MXCHEM SORC22 coefficient for quadratic term in nuclide MXOXST SORDAT concentration L kg MXMNRL MXCHEM 71 Table 6 16 Chemical Property Dependent Input Parameters INP File Parameter Definition Units Dimension Block CNRAER uncertainty fa
126. eliable 42 5 SYVAC3 CC4 INPUT AND OUTPUT FILES The SYVAC3 CCA model requires the main SYVAC3 INP file the vault solubility file SOLnn FXD the geosphere network file NETnn FXD and the geosphere sorption file SORnn FXD Optional files may be used such as the sample files referred to as QUANTILE or ON FILE files For example the Median Value simulation uses a quantile file with the quantile value set equal to 0 50 Sample files provide values for sampled parameters in QUANTILE and ON FILE sampling methods QUANTILE sample files must provide numbers between zero and one ON FILE sample files may contain any set of appropriate parameter values In both cases all the values needed for a single simulation must appear in a single logical record There must be as many records as simulations These files are read as Standard ASCII Files and so comments and continuation lines are permitted The output files for the SYVAC3 CC4 model listed in Table 5 5 include as a minimum the LPT file the OUT output file and the DOS file Optional files include the parameter file PAR the Time Series Package trace files SUB geosphere NDS biosphere and CDS vault 5 1 INPUT FILE DESCRIPTION The SYVAC3 CCA input files are listed in Table 5 1 5 1 1 Main Input File The INP input file consists of a sequence of fields each consisting of a single number or a character string The fields appear in consecutive logical records w
127. ences All consequence parameters produced by the vault model are listed in Table 6 44 6 5 2 Geosphere Consequences All consequence parameters produced by the geosphere model are listed in Table 6 45 If the maximum number of geosphere consequences MXGCNQ is exceeded the geosphere consequences are written to the simulation log file LPT 6 5 3 Biosphere Consequences All consequence parameters produced by the biosphere model are listed in this section The maximum total dose rate to man and time of maximum total dose rate are listed in Table 6 46 The maximum total dose rate represents the total dose for all nuclides and all pathways combined This maximum is determined for two time ranges The first range is from the start of the simulation up to 10 000 a the second is again from the start of the simulation but out to the time limit of the simulation This table also lists the consequence parameter VALDA This parameter is used to represent a subseries of the final total dose rate time series for NLTIM values The time points for this time series are selected based on the fixed times provided in the input file If the user wants specific times to appear in the time series they must be specified in the fixed times If there are less than NLTIM fixed times then the code will calculate times to fill the list If there are more than NLTIM fixed times then the fixed times near the beginning of the fixed time list will not be included in the outp
128. ent biosphere compartment up to TLIMIT mol kg total mass of nuclide in lake sediment at TLIMIT years mol Dimension MXCHEM NCCOMP MXCHEM NCCOMP scalar scalar scalar scalar MXSPEC NCOMP MXSPEC NCOMP MXSPEC total mass of nuclide in lakewater at TLIMIT MXSPEC years mol total mass of nuclide in soil at TLIMIT years MXSPEC mol MXFELD Common Block CQCOMP CQCOMP CQSFIN CQSFIN CQSFIN CQSFIN CQCOMP CQCOMP CQMASS CQMASS CQMASS Parameter MXLAA MXLAL MXLAR MXLAS MXLAW MXLF MXLPL MXLPR TMXLAA TMXLAL 90 Table 6 52 Maximum Activity in Food chain Output Parameters Definition Units Dimension maximum concentration activity in animal due to NANIML contamination in air up to TLIMIT years quantity MXSPEC maximum concentration activity in animal due to NANIML contamination in leaves up to TLIMIT years MXSPEC quantity maximum concentration activity in animal due to NANIML contamination in roots up to TLIMIT years MXSPEC quantity maximum concentration activity in animal due to NANIML contamination in soil up to TLIMIT years quantity MXSPEC maximum concentration activity in animal due to NANIML contamination in water up to TLIMIT years MXSPEC quantity maximum concentration activity of a toxic non MXSPEC radionuclide radionuclide consumed due to contaminated fish up to TLIMIT years quantity maximum
129. entration scalar organic ligand 2 concentration scalar fluoride concentration scalar inorganic phosphorus concentration scalar calcium chloride concentration scalar sodium chloride concentration scalar sodium sulphate concentration scalar TcO2 TC potential 0 V MAXIFI temperature dependence of TcO TC potential V K potential at 0 V MAXIFI temperature dependence of UO UO potential V K initial reference potential for system V scalar log of CaSO solubility product at 298 MAXISI Temp dependence of CaSO solubility product scalar HK scalar Temp dependence of 2nd PO protonation scalar constant 1 K Temp dependence of 1st CO protonation scalar constant 1 K log of 2nd PO protonation constant at 298 K MAXISI log of 1st CO protonation constant at 298 MAXISI log of 2nd CO protonation constant at 298K MAXISI log of solubility product at 298 MAXISI log of solubility product at 298 MAXISI of hydroxyapatite solubility product at 298 K MAXISI temp dependence of 2nd CO protonation constant 1 K temp dependence of CaCO solubility product scalar E scalar M dependence of CaF solubility product scalar temp dependence of hydroxyapatite solubility scalar product 1 K temp dependence of water ion product 1 K scalar log of water ion product at 298 K MAXISI Common Block SPMICN SPCORL SPCORL SPMI
130. er MXTDDT MXLDT TMXLDT TPEAK PEAKDS Parameter VALDT CNUCID 86 Table 6 47 Maximum Nuclide Dose to Man Definition Units Dimension Common Block maximum dose in the DDT times series for each MXSPEC CQMXRN nuclide at TMXTDA years Sv a maximum total dose rate to man from current MXSPEC CQMXRN nuclide up to time TLIMIT Sv a time of maximum total dose rate to man from MXSPEC CQMXRN current nuclide up to time TLIMIT a time of the maximum dose rate of the two MXSPEC CQPEAK highest dose nuclides a dose rate of the two highest dose nuclides for all MXSPEC pathways taken at TPEAK Sv a NPATH Table 6 48 Integrated Nuclide Dose to Man Definition Units Dimension Common Block value of total dose rate to man from the current MXSPEC CQNHI1 nuclide at a given time Sv a NLTIM nuclide chain number of the highest ranked MXSPEC CQNHI2 maximum dose Parameter MXTDNA MXLDNA TMTDNA TMLDNA VALDNA 87 Table 6 49 Maximum Total Dose Rate to Non Human Biota Definition Units Dimension maximum total dose rate to non human biota MXNHUM from all nuclides up to a user specified time Sv a maximum total dose rate to non human biota MXNHUM from all nuclides up to time TLIMIT Sv a time of maximum total dose rate to non human MXNHUM biota from all nuclides up to a user specified time a time of maximum total dose rate to non human MXNHUM biota from all nuclides up
131. etable patch forage field woodlot and peat bog The warning parameters in Table 6 54 are set when an internal limit of the biosphere model has been exceeded When one of these limits is exceeded the appropriate flag is set equal to 1 This table also includes two parameters that give the time that the groundwater dilution limit was exceeded for both the critical group and nonhuman biota 6 5 4 Mass Accumulation and Distribution Consequences The mass accumulation and distribution consequence parameters produced by all the submodels are listed in Table 6 55 Table 6 1 Used Fuel Input Parameters INP File Parameter Definition Units Dimension Block DGRTYP matrix degradation process or type MXMTRX SPDEGR RUCHEM chemical fuel dissolution rate mol m a scalar SPGAMA TCOOL Age of fuel at start of calculations a scalar SPRADI Note The dose rate data ALPHDO BETADO GAMADO start at reactor discharge but the initial nuclide inventories INVPKG are at start of calculations TMDSSL time for complete dissolution of metal wasteform MXMTRX SPINVT a USURFA Effective surface area of used fuel per container scalar SPRADI WASTCO mass of wasteform in each container kg MXMTRX SPINVT 61 Table 6 2 Alpha Radiolysis Input Parameters INP File Parameter Definition Units Dimension Common Block AALPHA exponent for dependence of fuel dissolution rate scalar SPALPH on the alpha radiolysis dose rate
132. etwork data file The number of compartments used in the transport segment can be set in the sampled input parameter DCMPT in the main input file This parameter should have a maximum value of MXCOMP 2 otherwise it is reset to The user must increase and recompile if a larger number of compartments are needed There can be up to 10 unique periods or states in the geosphere MXGSTA mainly referring to groundwater flow conditions These states can repeat over and over during a glaciation cycle or series of cycles With several cycles through the glaciation periods the time series output may need to be adjusted to more accurately represent the time series This can be achieved by resetting the maximum number of time points in a time series in the time series control section of the input file 2 7 2 Glaciation Scenario in the biosphere To model glaciation in the biosphere different data values are used to represent different biosphere periods There can be up to 4 unique states in the biosphere MXBSTA which are associated with a critical group temperate farmer permafrost hunter ice sheet no biota proglacial lake fisherman These states can repeat over and over during a glaciation cycle or series of cycles 2 7 3 Cross reference indices from periods to states The cross reference index from periods to states for geosphere GIDXS helps to determine the period for the geosphere during each of the
133. ferred to the SYVAC3 Manual Andres 2000 for further details J 2 INCLUDE FILES Model variables that are shared with SYVAC3 must be one of the four SYVAC3 classes sampled dependent consequence or time series Sampled parameters dependent parameters and consequence parameters are declared and assigned to common blocks in INCLUDE files with names beginning with SP DP and CQ respectively These INCLUDE files must be available to SYVAC3 during execution of the code because SYVAC3 needs to know where the variables are stored A specific format for such files has been developed e The common block names must start with SP for sampled parameters DP for dependent parameters and CQ for consequences time series are not declared in these common blocks Names cannot exceed six characters in length e Each common block can be accessed by a vector with the same name as the common block The length of this vector is provided by a parameter with a name that is similar to that of the common block name The name of the length parameter is formed by deleting the 2nd character of the common block name and prefixing the remaining characters with an L e g DPTRAN to LDTRAN The vector provides access to the common block by means of the Fortran EQUIVALENCE instruction That is every variable in the common block can be accessed in two ways by its variable name and by the equivalent vector e Variables in the common block must have thei
134. food chain 5 index used to identify the fish food type 0 index used to identify no source for irrigation water 1 index used to identify the lake as source of water 2 index used to identify the well as source of water 3 index used to identify a source of deposition 1 index used to identify a type of soil 2 index used to identify a type of soil 3 index used to identify a type of soil 4 index used to identify a type of soil 1 index used to identify the forage field a field type 2 index used to identify the vegetable patch garden a field type 3 index used to identify the woodlot a field type 2 9 2 AGRIFR LANDFR ENERFR INORG WOODEN 229 4 index used to identify the peat bog wetland a field type 1 index used to identify agricultural fires 2 index used to identify land clearing fires 3 index used to identify energy fires 1 index for inorganic building material and 2 index for wooden building material Maximum Array Dimensions Array dimensions are defined through PARAMETER statements in the INCLUDE files and can be changed by recompiling the code The main default dimensions applicable to SYVAC3 CC4 SV312 CC408 are as follows MAXELM MAXIFI MAXISI MAXLCH MAXLOC MAXNOD MAXNTS MAXPER MAXSEC MAXSEG MAXSPE MXBSTA MXCHEM MXCOMP e MXFOOD MXGDLN MXGCNQ MXMNRL MXMTRX MXNAME MXNHUM MXOXST MXCPCL MXFELD e MXFIRE e MXGSTA 5 maximum number
135. from soil to the air does not reduce the contaminant levels in the soil and similarly the deposition of contaminants from the air is assumed not to reduce the contaminant levels in the air These processes are essentially considered to either balance or be small effects that can conservatively be ignored 2 6 6 Deposition to Soil and Vegetation The soil can only receive additional radionuclides from either irrigation water or atmospheric input that originates from the surface water body lake Vegetation is assumed to receive radionuclides from the atmosphere that have originated from all sources This is conservative in the case of fires where the vegetation is burned but then a portion of the radionuclide inventory is redeposited 2 6 7 Internal and External Radiation Exposure for Humans The food chain model and related dose pathways used for the determination of the internal and external radiation exposure for the reference human groups is expressed as a multiplier of the contaminant concentration in water soil or atmosphere via transfer factors The resulting food and media concentrations are then translated into a radiological radiological dose to man 2 6 8 Internal and External Radiation Exposure for Nonhuman Biota CC4 estimates the dose rate for a generic mammal bird fish and plant using similar but fewer dose pathways than are used for humans 20 2 7 GLACIATION SCENARIO The ability to represent time dependent geosphere
136. has been developed to relate these specific properties of the transport paths to the amount of retardation that can occur 245 In particular the overall retardation factor R for a given nuclide and transport segment in the geosphere is R 1 n f VKa m where is the measured sorption coefficient a given mineral m and provides for the scaling from the measurement conditions to the conditions of interest here and f is the fractional abundance of each mineral in the segment Typically values are measured high porosity crushed rock column experiments and so the recommended transformation to retardation in low porosity solid rock settings is where p is the solid mineral density and g is the porosity of the experimental setting for the given value of Ka A simple switch between oxidizing and reducing conditions is used The location along the flow path where the redox potential E switches over from reducing to oxidizing is determined by the depth of a redox divide Segments lying below the divide are considered to be reducing segments lying above the divide are considered to be oxidizing The switching point for determining if a segment is above or below the divide is the depth at the mid point of the segment 2 5 11 Other Site Specific Effects of the Well The Analytical Well Model AWME is used for flow within the aquifer and is generic not site specific Depending on the site specific
137. he geosphere model The simulation is REJECTED WELL DISCHARGE NODE NOT FOUND AS SEGMENT OUTLET NODE ADDWEL There is an error in the geosphere network NET FXD file The run is stopped A node indicated to be the well discharge node to the biosphere was not found as an outlet node for a segment Correct the segment and node information in the network file WELL DRAWDOWN NODE NOT FOUND AS SEGMENT OUTLET NODE ADDWEL There is an error in the geosphere network NET FXD file The run is stopped The segment and node connectivities near to the well nodes are incorrect Correct the segment and node information in the network file WELL TOO CLOSE TO LOWER REFERENCE NODE OR DRAWDOWN NODES MISSING ADDWEL There is an error in the data The run is stopped There may be no drawdown nodes in the geosphere network NET FXD file or the distance between the well and the drawdown nodes sampled parameters DISTD1 and DISTD2 is too large Correct the segment and node information in the network file or the values for DISTD1 and DISTD2 WRONG INDEX FOR FSCYL FOR NESTED CYLINDERS FSCYL The user should not see this message It indicates a programming error The run is stopped Consult the code owner ZERO DENOMINATOR SOLCY1 SOLCYL Zero denominator calculated during attempted solution of set of linear equations that arise in the transport across the buffer backfill and EDZ The run continues with the solution set to zero The results may be unr
138. he time series between simulations otherwise it is possible that time series might become contaminated by time series from previous simulations ZAPTSS also resets the time series storage space so it need hold only the time series generated in one simulation Simulations may run into problems for various reasons Simulations may be rejected put on hold or accepted The values of logical arguments returned by DEPPAR and SIMLAT determine these states Table J 4 summaries the meanings and consequences of the combinations of states of the ACCEPT DEPPAR and ONHOLD SIMLAT flags The SYVAC3 routine STRACE is used to turn on and off the tracing of time series operations Tracing time series operations is a good way of understanding how they work but the files generated can get very large FSENUC INTEGER NNUC INTEGER NOPRE INTEGER NUCID CHAR 10 NUCSIM LOGICAL NUCUSE INTEGER PREIDX INTEGER SECEQU LOGICAL 128 Table J 1 SYVAC3 Nuclide and Chain Variables Dimen sions Description 1 lt n NUCCHN lt NNUC MXSPEC If SECEQU n is TRUE then FSENUC n is a number in the set 1 n identifying the first nuclide in a secular equilibrium relationship with n otherwise FSENUC n 0 scalar Total number of nuclides in all chains read from the input file for the current case 1 lt NNUC lt MXSPEC MXSPEC NOPRE n is the number of precursors of nuclide n including n itself NOP
139. he buffer backfill and excavation damaged zone into the surrounding host rock using a nested cylinder geometry division of the vault into sectors with release calculated from each sector into the local geosphere and linear decay chains The geosphere model simulates the following processes ability of the aquifer to provide water to a well effect of the well pumping on the groundwater flow diffusive and advective transport of contaminants in groundwater converging and diverging flow paths spatial variation in transport properties from segment to segment along the transport pathway including linear equilibrium sorption and colloids capture of contaminant plume by the well and linear decay chains The geosphere can have up to 10 unique states varying with time for example glaciation cycles The geosphere transport can also be replaced by links to calculations conducted externally using but not limited to FRAC3DVS The biosphere model simulates the following processes contaminant release into aquatic or terrestrial discharge zones collection of all contaminants into a lake concentrations of contaminant in the lake water lake sediments and in the surface soil of a garden forage field woodlot and peat bog contaminant concentrations in the air indoor and outdoor loss of radionuclides from the biosphere by radioactive decay discharge from the lake and burial into deep lake sediments internal and external radiation exposures to member
140. he matrix The Rapid degradation method uses a fixed generally short time although this time frame need not be limited to any particular value from the time the container is flooded with water to degrade the entire wasteform at a constant rate If this time is very short the release is equivalent to instant release The effect of groundwater composition on the degradation rates is not explicitly considered other than through the conditions used to derive the solubility of some of the elements including the Uranium of the UO fuel wasteform 2 3 5 Precipitation Some nuclides released from the fuel and clad to the interior of the container are relatively insoluble and precipitate The input solubility limits can be used for all elements but the vault model also allows the solubility limit of the five elements neptunium technetium plutonium thorium and uranium to be calculated based on thermodynamic relationships and an input groundwater composition If multiple isotopes of the same element are present in the same waste form the elemental solubility limit is partitioned among the isotopes according to their relative abundance within the initial and as decayed wasteform inventory That is the partitioning is based on the relative amount of each isotopes of that element within the same wasteform allowing for decay and ingrowth with time but not for any other loss mechanism from the wasteform Co precipitation of isotopes is included by the
141. hich can be broken into shorter physical records or lines because the file is a Standard Text ASCII File The input is broken into logical records to allow the use of optional fields which may or may not occur The fields in the main input file are described in general in Table 5 1 Appendix B contains an extraction from the complete median case SYVAC3 CCA main INP file created from the Horizontal Borehole Case Study database This file used a QUANTILE sampling method for all parameters found in file MEDIANHB QNT This is an extraction because although all parameters sampled calculated and consequence are presented parameters in arrays have been represented by the first and last entry of the array Also repetitive areas such as Element dependent and Nuclide dependent blocks that are grouped together to allow correct random sampling during a probabilistic simulation are represented by their respective first and last blocks This extraction was done to reduce the size of the file to a manageable volume but still provide information of all parameters in the main input file 43 Table 5 1 Input Files for SYVAC3 CC4 Simulation Input Format Terminal Text sequential interactive or batch File Main Input File Standard text file SVnn INP Model INCLUDE Files SP INC DP INC CQ INC Standard FORTRAN 77 Quantile Files Standard text file Optional file required for deterministic or controlled sampling simula
142. ies determined from variable properties of water as a function of temperature and pressure due to depth Average linear groundwater velocities for each segment are calculated as above from Darcy s law e Reference hydraulic heads and temperatures supplied for each node and intrinsic permeabilities supplied for each segment Hydraulic conductivities determined from variable properties of water as a function of temperature and pressure due to depth Average linear groundwater velocities for each segment are calculated from an enhanced version of Darcy s law that includes the effects of buoyancy when there are variations in the density of the groundwater In this case the reference hydraulic heads supplied must be determined from detailed groundwater flow modelling that also includes the buoyancy effects 2 5 9 Spatial Variation of Transport Parameters Each segment of the transport network is assigned constant physical and chemical properties However transport properties can vary from segment to segment along the transport pathway The details of the site model should define the appropriate size and spacing of the segments to reflect the spatial variation in these properties 2 5 10 Retardation Factors Retardation factors are calculated using empirical equations depending on a set of location specific chemical and mineralogical properties that are defined for each transport segment A set of element mineral specific distribution coefficients
143. ies in gamma dose time series scalar SPGAMA 62 Table 6 4 Engineered System and Failed Container Input Parameters INP File Parameter Definition Units Dimension Block IFAILQ instant container failure quantile MAXSEC SPIFLQ IFRACT instant failure fraction scalar SPCNF1 LENCHO length of hole in container m scalar SPTHCK LENROM length of disposal room m MAXSEC SPTHCK NCONSC number of containers per sector MAXSEC SPCONS PORCON infiller capacity factor scalar SPVLT PORDAM porosity of damaged zone scalar SPVLT PORHOL porosity for inside the hole in the container scalar SPVLT RADCHO radius of hole in container m MAXSEC SPTHCK RMANGL angle of disposal room axis with geosphere scalar SPVLT x direction deg ROMSPA centre to centre room spacing m scalar SPTHCK TDELAY time delay between closure of the repository and MAXSEC SPDELY exposure of the waste to groundwater a TEMPSC vault reference temperature K scalar SPTMPS THKBAK effective thickness of backfill m scalar SPTHCK THKBUF effective thickness of buffer m scalar SPTHCK THKDAM effective thickness of damaged zone m scalar SPTHCK VOLUMC internal volume of container m scalar SPVLT Table 6 5 Nuclide Dependent Input Parameters INP File Parameter Definition Units Dimension Block HLIFE Half life of each radionuclide a MXSPEC SPHALF Note Stable nuclides must have a half life greater than or equal to MXHLIF Radionuclides
144. ility Parameters The solubility of a nuclide is based on the solubility of the underlying chemical element When there are multiple isotopes of the same element present in the same wasteform they are each assigned a proportional share of the total elemental solubility The solubility of most elements is a user input via the MAXSOL parameter per Table 6 7 These solubility limits are applied inside the container so should be chosen to be representative of conditions at this location However if the parameter SOLOPT 1 Table 6 7 then the solubilities of five elements U Np Pu Th and Tc are calculated from groundwater composition and chemical reaction constants listed in Table 6 7 The chemical reactions themselves are described through the file SOL FXD with the parameters listed in Table 6 8 These input parameters are not sampled from a probability distribution but are used directly The reactions are written in the form N MO aH 0 bY gt My mH where M y Oonan Hian i T is an aqueous solution species and Y is a complexing ligand with ionic charge c The input parameters that describe these reactions are P2VLT m P3 n MNUM Table 6 8 and P4 P10 are the b values for Y carbonate phosphate sulphate chloride fluoride and two organic complexing ligands respectively 6 1 6 Vault Transport Parameters The parameters used to define the transport processes in the vault are listed in Tab
145. index Uranium U OH 4 AQ 01 08 carbonate index Uranium U OH 5 01 09 carbonate index Uranium UO2CL 01 10 carbonate index Uranium UO2F 01 11 carbonate index Uranium UO2F2 AQ 01 12 carbonate index Uranium UO2F3 01 13 carbonate index Uranium UO2F4 2 01 14 carbonate index Uranium UF3 01 15 carbonate index Uranium UF4 AQ 1 16 carbonate index Uranium UO2CO3 AQ 1 17 carbonate index Uranium UO2 CO3 2 2 1 18 carbonate index Uranium UO2 3 CO3 6 6 1 19 carbonate index Uranium UO2 CO3 3 4 1 20 carbonate index Uranium U CO3 5 6 01 21 carbonate index Uranium UO2SO4 AQ 01 22 carbonate index Uranium UO2 S04 2 2 01 23 carbonate index Uranium UO2HPO4 AQ 01 24 carbonate index Uranium UO2PO4 02 01 carbonate index Thorium ThOH 3 02 02 carbonate index Thorium Th OH 2 2 02 03 carbonate index Thorium Th OH 3 02 04 carbonate index Thorium Th OH 4 02 05 carbonate index Thorium ThF3 02 06 carbonate index Thorium ThF4 aq 02 07 carbonate index Thorium Th SO4 2 aq 02 08 carbonate index Thorium Th HPO4 2 aq 02 09 carbonate index Thorium Th HPO4 3 2 2 10 carbonate index Thorium 5 6 03 01 carbonate index Technetium TcO4 03 02 carbonate index Technetium TcO OH 03 03 carbonate index Technetium TcO OH 2 03 04 carbonate index Technetium TcO OH 3 3 05 carbonate index Technetium Tc 2 03 aq 3 06 carbonate inde
146. iner calculated in the Wasteform Container model is taken as the input source term The model assumes azimuthal symmetry around each room It solves the radial transport equations exactly and models the axial transport approximately it is solved accurately within each layer but uses an integrated boundary condition between layers A convective type boundary condition for contaminant transport is imposed in the axial ends of the vault sector i e no diffusive transport Since the buffer is impermeable contaminants move only by diffusive transport However groundwater velocities could be significant in the backfill EDZ and surrounding rock In these media contaminants can move by advection dispersion and diffusion Diffusion constants in the buffer backfill EDZ and geosphere vary by element Diffusion coefficients do not change with time Release rates of contaminants are integrated over the entire surface of the EDZ for each sector mol a Concentrations of the contaminants in the porewater are not determined 10 2 4 4 Sorption Each contaminant interacts with the solid phase buffer backfill EDZ geosphere by linear equilibrium sorption Non linear sorption and saturation of sorption sites are not modelled 2 4 5 Decay Chains Transport is modelled for linear decay chains 2 4 6 Resaturation The vault re saturation phase is not modelled It is assumed to be fully saturated by the start of the nuclide release calculations
147. ion Common Block compartment concentration limits mol kg NCOMP SPCLIM user specified time used to calculate scalar SPTIME consequences a 81 Table 6 37 Vault Model Output Parameters Parameter Definition Units Dimension Common Block CAPDZS damaged zone capacity factor for each vault MXCHEM MDPCAPS sector AXSEC CAPRKS near field rock capacity factor for each vault MXCHEM MDPCAPS sector AXSEC DARBV Darcy velocity in buffer m a MAXSEC DPDARV DARDZA axial Darcy velocity in damaged zone m a MAXSEC DPDARV DARDZR radial Darcy velocity in damaged zone m a MAXSEC DPDARV DARFVA axial Darcy velocity in backfill m a MAXSEC DPDARV DARFVR radial Darcy velocity in backfill m a MAXSEC DPDARV DARKVA Darcy velocity parallel to the axis of the disposal MAXSEC DPDARV room for the bottom geosphere segment connected to vault sector m a DARKVR Darcy velocity orthogonal to the axis of the MAXSEC DPDARV disposal room for the bottom geosphere segment connected to vault sector m a DISPRV longitudinal hydrodynamic dispersion coefficient MXCHEM MDPDARV for element in bottom geosphere segment AXSEC connected to vault sector m2 a DISTRV transverse hydrodynamic dispersion coefficient MXCHEM MDPDARV for element in bottom geosphere segment AXSEC connected to vault sector m2 a FRACU fraction of used fuel dissolved in one container MAXSEC DPRACU up to the end of the simulation INVTRY initial nuclide inventories in v
148. ion is placed stopped Correct the value of sampled parameter DPSTYP Valid values are 1 2 3 or A INVALID TIME SERIES INDEX VALUE Number RETTS Attempt to use a time series not yet created Not usually seen by the user May be caused by unexpected data for the model or by programming problem Usually causes simulation to be stopped INVALID VALUE OF PROIRR VEGPCH Number FWASRC Source of water for irrigating the vegetable patch is set to an invalid value It should be 0 or 1 The run is stopped Check value for input parameter PROIRD INVALID VALUE OF PROIRR FORAGE Number FWASRC Source of water for irrigating the forage field is set to an invalid value It should be 0 or 1 The run is stopped Check value for input parameter PROIRD INVALID VAULT RELEASE TYPE ReleaseType FOR VAULT SECTOR SectorNumber NETDEP 35 The vault release type is invalid It must be 1 or 2 INVALID VAULT SECTOR NUMBER SectorNumber AT POSITION Number SIMGEO There is an error in the geosphere network NET FXD file The run is stopped A vault sector number assigned to a geosphere source node is equal to zero Correct the information in the network file LAST RUN REQUESTED ALREADY FINISHED NO PROCESSING DONE FOR THIS CASE INTRO When using multiple ranges for simulation numbers run will not be rerun if it is already completed The simulation will not be run Check requested run ranges in the main input file they should not overlap
149. ional outputs for all parameter values amp SUB for time series during geosphere execution amp NDS for time series during biosphere execution amp CDS for time series during vault execution Number of simulations for this case EST range 1 start requested end integers Insert more lines for more non overlapping ranges Time series control 1 0D1 1 8D1 3 2D1 5 6D1 1 0D2 1 8D2 3 2D2 5 6D2 1 0D3 1 8D3 3 2D3 5 6D3 1 0D4 1 8D4 3 2D4 5 6D4 1 0D5 1 8D5 3 205 5 605 1 006 1 806 3 2D6 5 606 1 007 Fixed times years d p 3 200 Minimum and maximum number of time steps integers amp 0 001 Target fractional error for time series representation d p 0 to 1 amp 0 2 0 2 time series smoothing controls VLT include files CQCNTA INC SPVLT INC GEO include files COGEOA INC SPWELL INC BIO include files COBIOA INC SPWTDC INC END end of INCLUDE file list Parameters are grouped by model in the order VLT GEO BIO Within each model parameters are grouped by type in the order SP DP CQ There are two SP groups for each model nuclide independent and nuclide dependent Within each group parameters are sorted alphabetically with the exception of correlated parameters and grouped parameters Nuclide Independent Parameters QUANTILE MEDIANHB ONT VLT SP
150. iptions start of nuclide chains NUCLIDE GROUP GTC PU241AFUEL AM241AFUEL NP237AFUEL PA233AFUEL 233AFUE amp TH229AFUEL RA225AFUEL AC225AFUEL U 238AFUEL TH234AFUEL U 234AFUEL TH230AFUEL RA226AFUE amp RN222AFUEL PB210AFUEL BI210AFUEL PO210AFUEL 14 FUEL CA 41 FUEL CL 36 FUEL TC 99 FUEL SE 79 FUEL T 129 FUEL end of nuclide chains start of matrix materials U 238AFUEL end of matrix materials 102 103 APPENDIX C EXAMPLE SYVAC3 CC4 MEDIAN CASE SAMPLE FILE This appendix is an extraction from the HBC median case sample file This extraction shows the general format of a sample file In a sample file all the values needed for a single simulation must appear in a single logical record and there must be as many records as simulations These files are read as Standard ASCII Files and so comments and continuation lines are permitted In this extraction the first few records are displayed then the quantiles for IFAILQ the only sampled parameter with quantile values not set to 0 50 and finally the last few records of the quantile file Median Case Quantile File Jui 29 13 226 05 2011 IQUANTILE file created from SYVAC MEDIAN IHB
151. is nuclide it s effect should be considered within the dose coefficient of its parent INPUT OF DISTRIBUTIONS STOPPING BECAUSE OF ERROR IN INPUT CHECKI Usually caused due to problems with correlated parameters or problems with ranges of the parameter distributions in the main input file INVALID DISCHARGE TYPE DischargeType FOR DISCHARGE DischargeLocation NETDEP The discharge type is invalid It must be anyone of 1 thru 5 or 9 for any discharge location INVALID GROUNDWATER VELOCITY FUNCTION INDICATOR ADDOSS ADDWEL GWVDEP There is an error in the geosphere network NET FXD file The run is stopped Groundwater velocity function indicator found in the network file is not supported Valid values are 1 2 3 4 5 or 6 Correct the information in the network file INVALID IRRIGATION TYPE rrigationType FOR FIELD FieldType STATE StateNumber SOILIR The irrigation type is not WELL LAKE or NONE The run is stopped Correct the values for parameters that control irrigation INVALID PROVISIONAL DOMESTIC WATER SOURCE PRODOM WaterSource DWASRC The domestic water source defined by sampled parameter PRODMD is not defined as WELL or LAKE The run is stopped Correct the values for PRODMD Acceptable values are either 1 or 2 INVALID SOIL TYPE Number WTRSRC INVALID SOIL TYPE SHOULD BE NO GREATER THAN Number WTRSRC The soil type index is greater than the number of soil types available or less than 0 The simulat
152. is an error in the data The run is stopped There may be incorrect well reference nodes in the geosphere network NET FXD file or the depth of well sampled parameter DPTHWL is incorrect Correct the node information in the network file or the values for DPTHWL The lower well reference node must lie at lower elevation than the well aquifer node which is the node in the network adjacent to the node designated as the well discharge node ROOT OF GROUNDWATER DIVIDE FUNCTION NOT FOUND GWDIV The solution to the groundwater divide equation was not found The simulation is REJECTED e rd SAMPLING METHOD Method IS INVALID IT MUST BE RANDOM OR RANDOM 2 OR QUANTILE OR ON FILE ASSVAL The only allowed sampling methods that can be used to assign values to the sampled parameters are those listed Correct the erroneous sampling method in the input file SEARCH FOR WELL BYPASS DISCHARGE HAS LED TO THE WELL DISCHARGE ADDWEL There is an error in the geosphere network NET FXD file The run is stopped The segment and node connectivities near to the well nodes are incorrect When there is a well in the geosphere model as a discharge point for groundwater an alternate flow path must also be present that leads the contaminants not captured by the well past the well to discharge somewhere else This network has a well but following the well bypass pathway has led back to the well discharge again rather than to an alternate discharge location Co
153. le 6 9 56 6 2 GEOSPHERE INPUT PARAMETERS 6 2 1 Segment Dependent Parameters The geosphere is divided up into physical property class zones Within these zones segments are assumed to have similar physical properties The segment dependent input parameters for the geosphere model are listed in Table 6 10 Some of the properties are assigned through the physical property class and some segment by segment 6 2 2 Node Dependent Parameters The node dependent input parameters for the geosphere model are listed in Table 6 11 6 2 3 Well Parameters The well input parameters for the geosphere model are listed in Table 6 12 6 2 4 Geosphere Network The fixed network data parameters for the geosphere model found in the fixed data file for the network NET FXD are listed in Table 6 13 and Table 6 14 for segment and nodal properties respectively These provide the links between the nodes and segments in the geosphere and the corresponding interfaces with the vault sectors and the biosphere discharge zones 6 2 5 Geosphere Sorption Parameters The fixed sorption parameters found in the fixed data file for sorption SOR FXD for the geosphere model are listed in Table 6 15 6 2 6 Chemical Property Dependent Parameters The geosphere is divided up into chemical property class zones Within these zones segments are assumed to have similar chemical properties The chemical property class parameters for the geosphere model are listed in Table
154. le is detected in the run directory the data from the FRAC3DVS data files are read and geosphere flow time series are created overwriting any CC4 calculated geosphere flows for that simulation FRAC3DVS data is only provided for one simulation so if a probabilistic simulation is requested only the first simulation will use the FRAC3DVS data and the rest of the simulations will use the CC4 calculated geosphere flows For more information on the FRAC3DVS control input file format and the FRAC3DVS data file format see Section 5 2 and Appendix L 2 6 BIOSPHERE MODEL The processes simulated are summarized below These brief descriptions also indicate some of the main limitations of the model Figure 2 3 illustrates the biosphere landscape 2 6 1 Concentrations in Surface Lake Water The surface biosphere is modelled as collecting into one surface body nominally modelled as a lake The lake is modelled as well mixed with a defined outlet discharge rate which constitutes one of the four contaminant loss routes from the model the others are the deep lake sediment radioactive decay and gaseous evasion from the lake The entire contaminant discharge is assumed to end up in this lake with negligible delay after discharge Small fractions of the discharges may be held up in the soil zone before reaching the lake However it is conservatively assumed that this fraction is small The amounts thus diverted from entering the lake are not subtracted fr
155. ly a restart is only performed when a system model error has caused the simulation to stop or the user wants to extend an existing multiple simulation output file In the case of a system error a successful restart cannot be guarantied but is normally possible 26 4 ERROR AND WARNING MESSAGES Warning and error messages from a model are sent to the screen and to the LPT output file These messages have the following format WARNING IN RUN f MODNAM inf ormative message of one or more lines ERROR IN RUN f ny ces MODNAM E informative message of one or more lines The messages begin with the string WWARNING or ERROR and indicate which run number is affected and which module issued the warning The module identification may be of primary interest to a programmer but in some cases makes a message unique or the meaning of a message clearer for a user when more than one module can produce the same message Warning messages may indicate unusual conditions or simply provide information to the user The code continues execution An example of a warning generated by a unexpected condition is shown below In this example the warning written by the module ASSVAL indicates that the input parameter LEACHC has a value that is outside of the probability distribution bounds specified in the INP main input file WARNING IN RUN f hs ASSVAL VALUE 1 000000D 05 IS A
156. lysis Input Parameters INP 61 Table 6 3 Beta and Gamma Radiolysis Input Parameters INP 61 Table 6 4 Engineered System and Failed Container Input Parameters INP File 62 Table 6 5 Nuclide Dependent Input Parameters INP File 62 Table 6 6 Buffer Backfill Sorption Input Parameters INP File 63 Table 6 7 Solubility Fixed Input Parameters SOL FXD 63 Table 6 8 Solubility Input Parameters INP 64 Table 6 9 Vault Transport Input Parameters INP 65 Table 6 10 Geosphere Segment Input Parameters INP 66 Table 6 11 Geosphere Node Input Parameters INP File 66 Table 6 12 Well Input Parameters INP File 0000 67 Table 6 13 Geosphere Fixed Segment Input Parameters NET FXD File 68 Table 6 14 Geosphere Fixed Node Input Parameters NET FXD File 69 Table 6 15 Sorption Fixed Input Parameters SOR FXD File 70 Table 6 16 Chemical Property Dependent Input Parameters INP
157. m 002 4 2 7 HPO4 2 index Uranium U OH 4 AQ 5 number metal atoms Uranium UF4 aq 6 number metal atoms Uranium 7 number metal atoms Uranium UO2 CO3 2 2 8 number metal atoms Uranium 2 6 6 9 number metal atoms Uranium 002 03 3 4 0 number metal atoms Uranium U CO3 5 6 1 number metal atoms Uranium 002504 aq 2 number metal atoms Uranium 002 504 2 2 3 number metal atoms Uranium UO2HPO4 aq 4 number metal atoms Uranium UO2PO4 2 A number metal atoms Thorium ThOH 3 2 02 number metal atoms Thorium Th OH 2 2 2 03 number metal atoms Thorium Th OH 3 2 04 number metal atoms Thorium Th OH 4 aq 2 05 number metal atoms Thorium ThF3 2 06 number metal atoms Thorium ThF4 2 07 number metal atoms Thorium 504 2 aq 2 08 number metal atoms Thorium Th HPO4 2 aq 2 09 number metal atoms Thorium Th HPO4 3 2 2 10 number metal atoms Thorium 5 6 3 01 number metal atoms Technetium TcO4 3 02 number metal atoms Technetium TcO OH 3 03 number metal atoms Technetium TcO OH 2 3 04 number metal atoms Technetium TcO OH 3 3 05 number metal atoms Technetium OH 2CO3 aq 3 06 number metal atoms Technetium OH 3 4 01 number metal atoms Plutonium Pu 3 4 02 number metal atoms Plutonium PuOH 2 4 03 number metal atoms Plutonium Pu 4 aq 4 04 number metal atoms Plutonium Pu H2P04 2 4 05 number metal atoms Plutonium PuS
158. mation on the radionuclide release rate to the biosphere from the geosphere The biosphere model receives information from the geosphere on contaminant flows at defined discharge locations and converts these flows to concentrations in the lake air and soil Ultimately these contaminant concentrations are used to estimate dose to a self sufficient human household living near the site and using contaminated water food and materials The model also estimates the dose rates to representative biota The theory behind the system model is described in more detail in the CC4 Theory report NWMO 2011 1 2 CC4 SYSTEM MODEL REQUIREMENTS 1 2 1 Hardware and Software Requirements The CC4 system model requires the SYVAC3 executive computer program SYVAC3 provides common support functions for system models notably input and output single and multiple run management probabilistic and deterministic sampling of input parameters and robust numerical algorithms for generic time dependent processes More details on SYVAC3 are provided in the SYVAC3 Manual Andres 2000 CC4 is compliant with ANSI standard FORTRAN 90 with some accepted residual features from Fortran 77 e g use of EQUIVALENCE use of nested IF constructs rather than CASE The code does not use system level operating features making it portable to a variety of 29 2 environments The hardware platform must be capable of representing numbers between at least 1079 and 10 CC4 is capable
159. ment 1 Initialize local saved scalars to zero no Structure element alignment Natural Dynamic common blocks blank Structure element alignment default Common Element alignment None SEQUENCE types obey rules no Assume summy argument share mememory no Assume CRAY pointers do not share memory no Constant actual arguments can be changed no Use bytes as RECL Unit for unformatted no Initialize stack variables to an unusual value no FORTRAN LANGUAGE LANGUAGE diff name Enable Fortran 66 semantics blank Source file format Use file extension Enable alternate PARAMETER syntax Fixed form line length 72 columns checked Pad fixed form source records no Name interpretation upper case Enable alternate PARAMETER syntax yes Source form Use file extension Enable Fortran 66 semantics no Fixed form line length 72 Compile lines with D in column no Pad fixed form source records blank Process OpenMP Directives disable LIBRARIES LIBRARIES Reentrancy support None Use run time library Debug Multithreaded Use run time library Debug Single threaded libs static threads dbglibs Other options checked none Use common windows libraries No Use portlib library No Use intel math kernel library No Disable default library search Rules No Disable OBJCOMMENT library names in object No LISTING FILES OUTPUT FILES diff name Source listing blank Module path IntDir Assembly listing blank Object Fil
160. mited This model and site specific module must be revised for each application Check that the correct site specific well model is applied 2 395 WELL EXISTS WITH NO SEGMENT BYPASSING IT FROM WELL CAPTURE NODE NodeNumber WELDEP When there is a well in the geosphere model as a discharge point for groundwater an alternative flow path must also be present that leads any contaminants not captured by the well to discharge somewhere else This network has a well but no well bypass pathway has been found The network data in the NETxx FXD file must be corrected ZERO DENOMINATOR IN RESPONSE Nuclide VAULT SECTOR SectorNumber SIMTRA A divide by zero was prevented in the calculation of a boundary integral response function in the buffer backfill or EDZ for the specified nuclide and vault sector The divide by zero operation is bypassed and execution continues The results may be unreliable for this nuclide The input parameters and intermediate results should be checked for unreasonable or inconsistent values 4 2 ERROR MESSAGES BAD CALCULATION ORDER GETNET The geosphere node calculation order was not determined successfully There is a problem with the node connectivity defined in the NET FXD file The run is stopped CALCULATION NODE NodeNumber NOT FOUND AS AN OUTLET NODE SIMGEO There is an error in the geosphere network NET FXD file The run is stopped The segment and node connectivities or the list of calculation nodes are incor
161. must be set to unity since this dose rate is calculated using INDCF see Table 6 34 inhalation dose conversion factor Sv Bq water immersion dose conversion factor Sv a Bq m Dimension MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC Common Block SPAIDC SPBLDC SPGRDC SPIDCF SPINDC SPWTDC 79 Table 6 31 Conversion Factors for Calculating Internal C Dose INP File Parameter Definition Units Dimension Common Block CADCF internal dose conversion factor for C 14 scalar SPCRBN Sv a Bq kg NHC carbon concentration in non human kg kg MXNHUM SPCRBN SCAGW annual average groundwater concentration of scalar SPCRBN stable carbon kg L SOFCA carbon content of soft tissue kg scalar SPCRBN SOFMAS mass of soft tissue kg scalar SPCRBN Table 6 32 Conversion Factors for Calculating Internal CI Dose INP File Parameter Definition Units Dimension Common Block CLDCF internal dose conversion factor for CL 36 scalar SPCHLR Sv a Bq kg NHCL chlorine concentration in non human kg kg MXNHUM SPCHLR SCLGW annual average groundwater concentration of scalar SPCHLR stable chlorine kg L SOFCL chlorine content of soft tissue kg scalar SPCHLR Table 6 33 Conversion Factors for Calculating Tritium Dose INP File Parameter Definition Units Dimension Common Block HDCF internal dose conversion factor for H 3 scalar SPHYD3 Sv a Bq kg HYMAN hydrogen concentration in man g kg scalar S
162. n wells Overburden is specified in the model at all areas where transport pathways from the vault discharge to the biosphere including the well discharge The model assumes that such wells draw no water from the groundwater aquifer but rather are supplied entirely from surface waters which are contaminated at the same concentration as the lake water 2 5 5 Maximum Well Capacity A maximum well capacity is defined from the AWME based on the properties of the aquifer This value is provided to the biosphere model which then determines the actual demand placed on the well This demand is a constant annual amount If the well demand is larger than can be supplied by deep groundwater flowing in the aquifer then the additional water is assumed to be supplied by surface waters captured due to the well drawdown leading to a dilution in the well water contaminant concentration This pathway from surface to well is not modelled in the transport segments 2 5 6 Plume Capture Fractions One or more nodes of the transport network are considered to be well capture nodes These nodes are placed on a capture line oriented orthogonal to the central flow line passing through the well This line is located at a distance farther down the dipping aquifer than the deepest well nodes The segments leading from these capture nodes to the first well drawdown node the well collection node are assigned widths that represent the widths at the capture line The envelope
163. n intact containers mol Amount decayed in vault sealing materials and EDZ mol amount released into biosphere mol Ingrowth from parent in biosphere mol Ingrowth from parent in failed containers mol Ingrowth from parent in downstream release mol Ingrowth from parent in geosphere mol Ingrowth from parent in intact containers mol Ingrowth from parent in vault sealing materials and EDZ mol mass balance ratio for biosphere Amount released from biosphere mol Amount released from failed containers mol Amount released from downstream mol Amount released from geosphere mol Amount released from intact containers mol Amount released from vault sealing materials and EDZ mol Dimension MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC MXSPEC Common Block CQBIOA CQCNTA CQBIOA CQGEOA CQCNTA CQVLTA CQBIOA CQCNTA CQBIOA CQGEOA CQCNTA CQVLTA CQBIOA CQBIOA CQCNTA CQBIOA CQGEOA CQCNTA CQVLTA CQBIOA CQBIOA CQCNTA CQBIOA CQGEOA CQCNTA CQVLTA 95 REFERENCES Andres T H 1993 SYVAC3 Parameter Distribution Package Atomic Energy of Canada Limited Report AECL 10983 COG 93 423 Chalk River Canada Andres T H 2000 SYVAC3 Manual Atomic Energy of Canada Limited Report AECL 10982 Chalk River Canada Garisto
164. n term dominates the dispersion the dispersion coefficient has the same value for all chain members anyway When the diffusion term dominates the diffusion coefficient for the first chain element will be used 14 However for the actinide elements in decay chains Am Np Pa Pu Ra Th and U the diffusion coefficients have about the same value and so using a single value for dispersion coefficient for all members of a decay chain is a good approximation 2 5 8 Groundwater Velocity Average linear groundwater velocities for each segment are determined by one of six possible methods e Average linear velocities supplied directly as input for each segment e Specific discharges Darcy velocities supplied for each segment Average linear groundwater velocities are then calculated from segment porosity e Reference hydraulic heads supplied for each node and hydraulic conductivities supplied for each segment Average linear groundwater velocities for each segment are then calculated in the network model from Darcy s law e Reference hydraulic heads supplied for each node and intrinsic permeabilities supplied for each segment Hydraulic conductivities determined from reference properties of water and average linear groundwater velocities for each segment are calculated as above from Darcy s law e Reference hydraulic heads and temperatures supplied for each node and intrinsic permeabilities supplied for each segment Hydraulic conductivit
165. nimum Number of Time Steps Use a number such as 10 or 20 The objective in setting this entry is to ensure that the Time Series routines will find nonzero values in each Time Series If this number is too small a narrow nonzero part of a curve could be missed if too large it could slow execution time e Maximum Number of Time Steps This number is useful for controlling execution time For a given Target Fractional Error reducing this number will reduce execution time with relatively little impact on accuracy Try starting with a value of about 200 e Target Fractional Error The Time Series routines in SYVAC3 can achieve TFE as low as 0 001 meaning that the estimated area of a Time Series has about three correct significant figures Execution times may be substantially reduced by using 0 01 e Smoothing Coefficients The Time Series package in SYVAC3 uses linear interpolation between points in a Time Series Without smoothing i e smoothing coefficient set to one these look fine in linear plots but plots of Time Series on a log log scale look jagged With smoothing coefficients set less than one Time Series are constructed in such a way that they appear smooth on both linear and log scales As a rule of thumb use 1 2M for a smoothing coefficient where M is the number of orders of magnitude to be shown on a log plot axis For example to show times from 10 to 100 000 years use a Time Smoothing Coefficient of 0 125 0 5
166. of elements for which solubility is explicitly calculated in the vault i e U Pu Th Tc Np 3 maximum number of final ionic strength indices for vault solubility calculations 3 maximum number of initial ionic strength indices for vault solubility calculations 10 maximum length of radionuclide decay chain 10 maximum number of discharge locations to biosphere 200 maximum number of nodes in geosphere transport network 3000000 maximum number of time series 100 maximum number of periods 25 maximum number of vault sectors 200 maximum number of segments in geosphere transport network 30 maximum number of species in vault solubility calculations 4 maximum number of unique biosphere states 25 maximum number of chemical elements increased in CC4 from SV311 default value 20 maximum number of compartments in a multi compartment group 5 maximum number of food types in biosphere 3 maximum number of nuclides where the groundwater dilution limit is applied 400 maximum number of geosphere consequences stored 20 maximum number of different minerals important for sorption in each segment 2 maximum number of matrix materials 200 maximum number of names to dimension model variables 4 number of non human biota 2 number of redox states of groundwater in geosphere 20 maximum number of chemical property classes for segments in geosphere transport network 4 number of field types in the biosphere 3 number of fire t
167. om the discharge flows to the lake and no decay due to its time delay is considered 18 Atmospheric Dispersion 7 Land Clearing Fire Suspension Energy Fire Deposition bcm gt gt Leaching TEN jo 9 NAM S mrs 5 pP 5 k FE EC Td 22 Water Infiltration Aquatic Dispersion Discharge to Well Terrestrial Discharge oe Aquatic Discharge AA_016 v 01A 96 MAR 05 Figure 2 3 Conceptual Landscape of the Second Case Study Biosphere 2 6 2 Concentrations in Lake Sediment The aquatic discharge zones into the lake bottom are covered by a layer of mixed and biologically active sediment lying on a compacted deep layer Contaminants are continuously removed from the lake water by sorption on suspended particles and deposition in sediments This sedimentation occurs continuously and contributes to sediment bulk at the bottom of the lake 2 6 3 Concentrations in Surface Soil The soil model calculates the concentration of each nuclide in the soil of the rooting zone in the four field types that may be used by the reference human group The soil concentration considers both contamination from atmospheric deposition and from irrigation as well as from contaminated groundwater that rises up through the soil to the surface The fields are located over the terrestrial parts of the discharge zones in a manner that maximizes
168. or Calculating Internal C Dose INP File 79 Table 6 32 Conversion Factors for Calculating Internal Dose INP File 79 Table 6 33 Conversion Factors for Calculating Tritium Dose INP File 79 Table 6 34 Conversion Factors for Calculating Internal Dose INP File 80 Table 6 35 Non human Dose Conversion Factors INP File 80 Table 6 36 Other Input Parameters INP 80 Table 6 37 Vault Model Output 81 Table 6 38 Geosphere Network Output Parameters 82 Table 6 39 Discharge and Well Model Output Parameters 82 Table 6 40 Table 6 41 Table 6 42 Table 6 43 Table 6 44 Table 6 45 Table 6 46 Table 6 47 Table 6 48 Table 6 49 Table 6 50 Table 6 51 Table 6 52 Table 6 53 Table 6 54 Table 6 55 Table 6 56 Figure 2 1 Figure 2 2 Figure 2 3 Xii Geosphere Vault Interface Output Parameters 83 Biosphere Transport Output Parameters sss 83 Biosphere Dose Model Output 84 Irrigation Model Output
169. osion used for metal wasteforms and Rapid degradation used for soft wasteforms The instant release fractions of the nuclides are released from the wasteform to the interior of the failed container at the time the container is flooded with water for the UO fuel this is the portion of the inventory of each nuclide that is located in the gaps and at the grain boundaries of the fuel pellets Congruent release refers to the release of nuclides that are uniformly immobilized in the wasteform host matrix A nuclide is released as the matrix dissolves at a rate that is proportional to the nuclide s abundance within the matrix and the rate of dissolution of the matrix The nuclide s abundance depends on its inventory modified to account for radioactive decay and exclusion of the instant release inventory The Radiolysis based degradation method uses a set of empirical equations describing the dissolution rate of UO fuel due to alpha beta and gamma radiolysis of the surrounding groundwater This degradation method is only applicable for the UO fuel wasteform The surface area of the UO fuel wasteform is assumed to remain constant The Solubility Limited degradation method is based on the solubility of the wasteform and its loss rate from the container through the pinhole defect and ignores the initial transient The Constant Corrosion degradation rate is constant from the time the container is flooded with water to the complete dissolution of t
170. paq Visual Fortran 6 6 Intel Visual Fortran 11 1 Common Options inheritance description not available CODE GENERATION CODE GENERATION Generate most optimized code blank Enable recursive routines blank Math library Check Generate code for Blend Common Options inheritance description not available Enable recursive routines No Generate Reentrant code default Object String blank Enable Enhanced Instruction Set not set Add Processor Optimized code path none Intel Processor Specific optimization none COMPATIBILITY COMPATIBILITY Unformatted file conversion None Enable VMS compatibility blank Enable F77 run time compatibility blank Enable F77 integer constants blank Powerstation 4 0 compatibility options just Libraries checked Common Options inheritance description not available Unformatted file conversion None Enable VMS compatibility no Enable F77 run time compatibility no Enable F77 integer constants no Powerstation 4 0 compatibility options just Libraries yes rest no COMPILATION DIAGNOSTICS DIAGNOSTICS diff title Error limit blank Warning level Normal Warnings Things checked Argument mismatch Data alignment Uncalled routines Uninitialized variables Usage Fortran Standards checking None Common Options inheritance description not available GENERAL Error limit 30 Treat Warnings as errors No Warn for non standar
171. phere compartments up to simulation time limit e Maximum of the total radiotoxicity flux for all nuclides from the geosphere to the biosphere up to simulation time limit e Time of maximum of the total radiotoxicity flux for all nuclides from the geosphere to the biosphere up to simulation time limit e Maximum of the total radiotoxicity concentration for all nuclides in lake water up to simulation time limit and e Time of maximum of the total radiotoxicity concentration for all nuclides in lake water up to simulation time limit Mass Accumulation and Distribution For the intact containers failed containers vault engineered barriers buffer backfill and excavation damaged zone EDZ geosphere all segments between but excluding the EDZ and the biosphere surface soil and biosphere overall surface water and degassing from soil and surface water the following mass accumulation and distribution parameters are calculated for the above compartments The remaining amount of nuclide in the compartment The amount of nuclide lost to decay The amount of nuclide formed by ingrowth in the compartment and The amount of nuclide that flows out of the compartment 2 3 WASTEFORM AND CONTAINER MODEL The processes simulated are summarized below These brief descriptions also indicate some of the main limitations of the model 2 3 1 Geometry The fuel geometry is neglected except that a constant area is assumed in the fuel matrix dis
172. ply its endorsement recommendation or preference by NWMO ABSTRACT Title SYVAC3 CC4 User Manual Report NWMO TR 2011 22 Author s C I Kitson T W Melnyk L C Wojciechowski T Chshyolkova Company Atomic Energy of Canada Limited Date June 2011 Abstract CCA Canadian Concept generation 4 is a system model for the release and transport of radionuclides from a deep geologic repository It includes a vault a local geosphere and the biosphere in the vicinity of any surface discharge zones It is integrated with the SYVAC3 executive System Variability Analysis Code and the Modelling Algorithm Library Version ML303 to form the reference Canadian postclosure safety assessment computer code The version described here is SCC408 based on SYVAC3 12 and CC4 08 The vault code simulates the following processes random failure of containers through small defects release of contaminants from UO fuel Zircaloy fuel sheaths other metal wasteforms or soft wasteforms to the interior of a failed container including a radiolysis based fuel dissolution model precipitation of contaminants inside a failed container if solubility limits are exceeded including calculation of solubility limits from groundwater composition for Np Pu Tc Th and U transport by diffusion of dissolved contaminants through the defect in the failed container to enter the surrounding buffer transport by diffusion advection and sorption of contaminants through t
173. r Reference Humans and Animals 57 6 3 6 Radiation Exposure for Non Human Biota 57 6 3 7 Other Input Parameters 57 6 4 58 6 4 1 Vault Dependent 58 6 4 2 Geosphere Dependent Parameters 58 6 4 3 Geosphere Biosphere Interface sss 58 6 4 4 Geosphere Vault Interface sse 58 6 4 5 Biosphere Dependent 58 6 5 CONSEQUENCES 8 58 6 5 1 Vault 59 6 5 2 Geosphere Consequences nnn 59 6 5 3 Biosphere 59 6 5 4 Mass Accumulation and Distribution 60 REFERENCES Hm 95 APPENDIX A EXAMPLE SIMULATION COMMAND 4 2222222222 97 APPENDIX LAYOUT OF SYVAC3 CC4 MAIN INPUT FILE 99 APPENDIX C EXAMPLE SYVAC3 CC4 MEDIAN CASE SAMPLE FILE
174. r dimensions if any declared in the COMMON statement not in a type declaration or DIMENSION statement e All variables in a common block must have the same type either INTEGER or DOUBLE PRECISION e Contents of each common block must be preserved by a SAVE statement essential on some computers but not others It is recommended that array variable dimensions be given fixed values in Fortran PARAMETER statements This allows all array sizes to be changed simply by changing one PARAMETER statement 126 J 3 NUCLIDE AND CHAIN LISTS Sampled parameters dependent parameters and consequence parameters may be nuclide dependent The number of such nuclides is defined by the parameter MXSPEC The nuclide index from this parameter list is called NUCPAR by convention However while the input parameters and dependent and consequence parameters will be indexed according to a given set of nuclides SYVAC3 allows the user to specify a subset of these nuclides to simulate in a given run Since this subset also contains the decay chain relationships between these nuclides these nuclides are referred to as the chains list The same nuclide will in general have a different index in the main input parameter list than in the chains list By convention the chains list index is called NUCCHN NUCCHN varies between 1 and NNUC where NNUC is between 1 and MXSPEC SYVAC3 restricts the radionuclide decay chains modelled to linear sequence of nuclide
175. rameters Parameter Definition Units Dimension Common Block Ae Oe EEA AAR AS AREAF area of each field m MXFELD DPANAR MXBSTA CNGDSR flag that domestic water source has been changedMXBSTA DPWSRC from well to lake 0 1 No Yes CNGFSR flag that field irrigation source has been changed MXFELD DPWSRC due to use of lake sediment or limited well MXBSTA capacity 0 1 No Yes NUMANI number of food animals per household NANIML DPANAR MXBSTA PARTIM particulate deposition time a scalar DPPRTM Parameter CHKCR CHKCRN FRATE LTIM TOTENG Parameter IRRIGN STYPE Parameter PRCPMX SECMXT SECMXV VAREAS 84 Table 6 42 Biosphere Dose Model Output Parameters Definition Units Dimension Common Block check on plant soil concentration ratio for MXSPEC DPCHKR garden plants MXBSTA check on plant soil concentration ratio for MXSPEC DPCHKR forage field plants MXBSTA man s food ingestion rate kg a MXFOOD DPDOSE MXBSTA times used to interpolate time series a NLTIM DPLTIM total energy input implied by FRATE kJ d scalar DPDOSE Table 6 43 Irrigation Model Output Parameters Definition Units Dimension Common Block field irrigation source MXFELD DPIRGN index for soil type scalar DPSOLI Table 6 44 Vault Consequence Output Parameters Definition Units Dimension Common Block maximum amount of precipitate mol MAXSEC CQVLTO MXSPEC time of maximum release rate f
176. rder An error message follows The user should not normally see this message Contact the code administrator NO OF COMPARTMENTS FOR MULTIC RESPONSE FUNCTIONS ADJUSTED TO BE IN ALLOWED RANGE NEW VALUE NewNumberOfCompartments STADEP The number of compartments specified in the input file as DCMPT must be less than or equal to the maximum number of compartments MXCOMP 2 since two extra compartments are required for a boundary compartment and for a sink compartment The code will reset the number of compartments to be used to the upper limit of 2 NO ROOM TO STORE TIME SERIES EARLIER TIME SERIES WILL BE OVERWRITTEN THE LIMIT OF Number TIMES CAN BE RAISED BY CHANGING MXSTSZ STORT2 The time series storage limits have been reached and the storage space is being reused Time series created earlier in the simulation are overwritten This is a normal condition but in a long and complex simulation may lead to the error TIME SERIES HAS BEEN OVERWRITTEN NO NUCLIDE DATA FOUND IN CONTROL FILE GETF3D There is no nuclide data in the FRAC3DVS control input file so no FRAC3DVS data is used NO VALID DISCHARGE DATA FOUND IN CONTROL FILE GETF3D There is no discharge location data in the FRAC3DVS control file so the FRAC3DVS data is ignored NO WELL FOUND IN THIS NETWORK ADDWEL Message for information only Wells are commonly occurring discharges of groundwater from a geosphere However a well discharge is not require
177. re a geosphere mesh description compatible with the format requirements given in this report e A surface biosphere that characterizes the geosphere groundwater discharge locations and has a surface water body to which the groundwater and surface runoff flow e Areference human group living near the repository and characterization of its lifestyle habits such as eating that could expose it to contaminated food or materials Anunderstanding of the mechanisms for container failure and radionuclide release into the vault Anunderstanding of the equations and properties governing radionuclide transport through clays and geological media Anunderstanding of the equations and properties describing the pathways from contaminated water and soils to dose to humans and other biota e A user level understanding of the SYVAC3 code capabilities limitations and input output file formats The modelling results are dependent on the input data used The user is responsible for checking that the inputs are correct and for evaluating the results for reasonableness Defects in the CC4 code should be reported to the Nuclear Waste Management Organization NWMO 1 3 HISTORY OF THE CC4 MODEL An earlier model CC3 was developed by Atomic Energy of Canada Limited AECL for the 1994 postclosure safety assessment which was presented to a Canadian Government Environmental Impact Assessment EIS panel The 4 system model was first used for the S
178. rect Correct the segment and node information in the network file CANNOT OPEN FILE OutputFiles INTRO The output files already exist and will not be overwritten Either remove them move them or rename them The run is stopped CAN NOT USE RMSTFR WHEN THERE IS NO NEXT SEGMENT FOR SEGMENT SegmentNumber SIMGEO There is an error in the geosphere network NET FXD file The run is stopped The mass transfer response function can only be used when there is a segment following the segment in the network that is using RMSTFR Correct the information in the network file CASE CONTROL INFORMATION NOT ALL FOUND CHECK THE INPUT FILE nputFile INTRO The case control information near the front of the input file is not correct Check for correct spacing and record continuation characters for each logical record COMMON BLOCK CommonBlockName WAS NOT FOUND RETCMN STOCMN A SP DP or CQ common block is missing from simulation area The run is stopped Ensure the required common block is available to the simulation area remove any output files created and resubmit the simulation COULD NOT OPEN FRAC3DVS DATA FILE FileName REAF3D A FRAC3DVS data input file could not be opened Check file permissions and check if the file existsin the run directory COULD NOT READ FRAC3DVS DATA FILE FileName REAF3D 33 A FRAC3DVS data input file could not be read Check the format of the data file DATA NOT SUCCESSFULLY READ FROM FILE NET FXD
179. rom each vault MAXSEC CQVLTO sector for each nuclide a MXSPEC maximum release rate from each vault sector for MAXSEC each nuclide mol a MXSPEC total release from the vault for each vault sector MAXSEC and each nuclide to TLIMIT mol MXSPEC Parameter CQGCNT GIFLOW GMFLOW GTMAXF LABEL Parameter MXTDA MXLDA TMXTDA TMXLDA VALDA 85 Table 6 45 Geosphere Consequence Output Parameters Definition Units Dimension Common Block counter for number of stored consequences scalar CQLABL quantity geosphere integrated flow rate mol MXGCNQ CQGNET geosphere maximum flow rate mol a MXGCNQ CQGNET geosphere time of maximum flow rate a MXGCNQ CQGNET label for consequence This is a coded value MXGCNQ CQLABL including the NUCPAR n and NODE p For NUCPAR lt 11 nOOppp For 10 NUCPAR 100 nnOpppO Table 6 46 Maximum Total Dose to Man Definition Units Dimension Common Block maximum total dose rate to man from all nuclidesscalar CQDDA up to a user specified time Sv a maximum total dose rate to man from all nuclidesscalar CQDDA up to time TLIMIT Sv a time of maximum total dose rate to man from all scalar CQDDA nuclides up to a user specified time a time of maximum total dose rate to man from all scalar CQDDA nuclides up to time TLIMIT a value of time series of total dose rate to man NLTIM CQDDA from all nuclides at a given time Sv a Paramet
180. rrect the segment and node information in the network file SEDIMENT NODE NOT FOUND AS SEGMENT OUTLET NODE ADDOSS There is an error in the geosphere network NET FXD file The run is stopped A node adjacent in the network to a discharge node to the biosphere a sediment node was not found in turn as an outlet node for a segment Correct the segment and node information in the network file SELECTED PARAMETER ParameterName IS IN THE FILE BUT NOT IN THE MODEL COMMON BLOCKS RINDEX The indicated parameter is in the input file but not found in a submodel common block The run is stopped The list of SP DP and CQ INC files in the input file is inconsistent with the lists of parameters in the sampling methods SGPERM SegmentNumber Value SUPPLY PERMEABILITY FOR SEG SegmentNumber GEODEP A valid value for the permeability for the listed segment is required but an invalid value of less than 1 0E 30 was found The simulation is REJECTED Supply or correct the value for sampled parameter SGPERM for the indicated segment SIMULATION ERROR occurs in many modules in biosphere model An error in a calculation or time series operation has occurred The simulation is stopped Previous error messages should be present that describe the error condition SOL FXD COULD NOT BE OPENED GETSOL The solubility datafile SOL FXD could not be opened The run is stopped Check the name location and protection of the input solubility fil
181. rror has occurred Check previous error messages for possible reasons for this condition The simulation is stopped The consequences will be set to the artificial values assigned in the input file TIME LIMIT Value FOR SIMULATION OUT OF ALLOWED BOUNDS IN VAULT DEPPAR The end time of the simulation is outside the allowed time limit of 1 0E 08 years for the vault model The run is stopped Check the fixed times listed in INP main input file to make sure that they are all greater than zero and less than or equal to 1 0E 08 years TIME SERIES Number HAS BEEN OVERWRITTEN AND CANNOT BE RETRIEVED SO FAR Number TIME SERIES HAVE BEEN STORED USING Number TIME STORAGE LOCATIONS RETTS Error caused by reuse of time series storage in a long and complex simulation The warning message NO ROOM TO STORE TIME SERIES should have appeared earlier Error may be eliminated by reducing the maximum number of times requested for any time series reducing the complexity of the simulation or having the program owner increase the amount of time series storage available Usually causes simulation to be stopped TOO FEW TIME SERIES Number IN STACK 2 ARE NEEDED GLOWT 1 The user should not see this message It indicates a programming error The run is stopped Consult the code owner TOO MANY ELEMENTS Number IN INVENTORY LIST LAST ELEMENT IS ElementName CHAINS The number of chemical elements in the inventory list is greater than MXCHEM Reduce the
182. s A nuclide in a decay chain can be linked to at most two other nuclides its parent and its daughter All the nuclides up to and including a given nuclide in a decay chain are known collectively as its precursors or parents All the nuclides that following a nuclide in a decay chain including the nuclide itself are known as its descendents or daughters Table J 1 shows some arrays SYVAC3 provides in NUCLID INC The array sizes are given in terms of Fortran parameters provided by SYVAC3 which are listed in Table J 2 SYVAC3 has representations for chemical elements and matrix materials i e wasteforms as well as nuclides and chains The element type represents chemical element such as carbon or uranium The matrix material type represents the wasteform in which nuclides are embedded Table J 3 shows the SYVAC3 arrays that implement the associations between nuclide element and matrix material types The dimensioning constants are defined in Table J 2 J 4 TIME SERIES Time series are sets of time value points that define a time dependent variable The times and values are double precision floating point Time series are accessed by the system model through integer indexes that identify a specific time series maintained automatically by SYVAC3 Time series names can contain no more than six characters The SYVAC3 Time Series Package provides a number of routines for time series operation for example addition of two time series
183. s the well may also affect e The drawdowns outside of the aquifer drawdowns in the aquifer are determined by the analytical well model e Changes to discharge areas at the biosphere interface and e Capture fractions for segments leading to the well from outside the aquifer Any equations that apply to these quantities for use in the geosphere model are contained in the module SSPWEL FOR Site Specific Well Effects In SCC408 the site specific effects are e determination of drawdown outside aquifer e modified discharge area at discharges to biosphere and e well capture fractions fractionation of flow at divergence points at nodes outside the well aquifer 2 5 12 Converging and Diverging Flow Paths A schematic example of a transport network is shown in Figure 2 2 Transport segments can either converge or diverge at nodes and they connect together to represent the transport pathways leading from a source of contaminants to discharge locations in the biosphere If segments converge their output is summed before being used as input to the succeeding segment If segments diverge the output of a segment is fractionated and a portion is used as input to each succeeding segment 2 5 13 Matrix Diffusion Matrix diffusion is the process whereby solutes that are being transported in moving groundwater diffuse into adjacent stagnant water in the rock matrix A value for the effective ziee fracture aperture that is gt 1 um is used a
184. s 6 1 to 6 3 6 1 2 Engineered System and Failed Container Parameters The parameters used to represent the engineered system including the characteristics of the failed container are listed in Table 6 4 Note that the vault is divided into MAXSEC sectors to allow for differences in vault design or behaviour across the vault e g different local failure rates and to allow for significant differences in the properties of the surrounding rock e g groundwater flow rates Parameters that can vary with sector are dimensioned by MAXSEC in 55 Table 6 4 The calculated contaminant release rate from each sector serves as a separate source term to a contaminant pathway through the geosphere 6 1 3 Radionuclide Parameters Table 6 5 lists the input parameters that describe the nuclide or species dependent properties such as half life Nuclides in each matrix material i e UO fuel or Zircaloy cladding are treated as separate species This allows for different properties such as inventories and instant release fractions for nuclides such as Crue and 6 1 4 Buffer Backfill Sorption Parameters The sorption rates for elements in the buffer and backfill are listed in Table 6 6 Input parameters that are element specific are dimensioned by MXCHEM The number of elements in a simulation must be less than or equal to the number of nuclides in a simulation Each element listed must correspond to at least one nuclide 6 1 5 Solub
185. s a switch that determines whether matrix diffusion is invoked as a transport process Presently matrix diffusion when invoked is treated by adjusting the retardation factor and dispersion coefficient However this approach only provides an approximation of the effects of matrix diffusion which would need transport calculations in at least 2 dimensions to treat more exactly 2 5 14 Surface Discharge The geosphere model supports five surface discharge types WELL AQUAtic TERRestrial BOG wetland and GASeous discharge However it does not do anything with this information other than pass it on to the biosphere model The geosphere model also accepts a GASeous input in addition to the AQUAtic input from the vault model for propagation to the discharges to the biosphere 2 5 15 Segment Boundary Conditions The transport along each segment is determined using convolution integrals and response functions These solutions are available for the following segment outlet boundary conditions semi infinite medium mass transfer coefficient zero concentration and source within medium Note that the transport along the segments is solved sequentially in an order specified by the user so that other than the boundary conditions each segment is not affected by the conditions in a downstream segment However the conservation of water conditions continuity of specific discharge built into the groundwater flow field supplied means the propagation of
186. s are required to the compiler settings with FORTRAN v6 6 for either the release or debug version of the executable The Intel version 11 1 compiler needs the following flags either selected through the GUI interface under the project settings under the FORTRAN tab or as additional commands in the command line tab e Qsave saves all values a subroutine call for the next time the subroutine is called e stand f90 to enforce Fortran 90 standards and e check routine interfaces is set to NO can set it to yes for checking and debugging The detailed comparison of the compiler settings for Compaq Visual Fortran 6 6 and Intel Visual Fortran 11 1 are provided in Table K 1 Under Project settings in both cases the FORTRAN tab was selected and all the sub items compared The common items are highlighted in yellow within each category The items not quite the same are highlighted in blue Green items change in experiments Table K 1 Fortran Compiler Comparison Intel Visual Fortran 11 1 GENERAL Suppress Banner Yes nologo Additional include directories blank Debug information format full debug full Compaq Visual Fortran 6 6 GENERAL Debugging level full Warning level normal warnings Optimization level none Pre defined preprocessor sumbols blank Generate Source browse information not Optimization Disable Od Preprocessor Definitions blank checked Compile Time diagnostics Custom 133 Com
187. s must provide numbers between zero and one ON FILE sample files may contain any set of appropriate parameter values In both cases all the values needed for a single simulation must appear in a single logical record There must be as many records as simulations These files are read as Standard ASCII Files and so comments and continuation lines are permitted An example sample file is provided in Appendix C 48 Table 5 4 Example Sampling Method Layout for INP File Note that all sampling methods need not be used in any given run Input File RANDOM 61947329 list of sampled parameters one per record END RANDOM 2 7 list of sampled parameters one per record QUANTILE VOINP SMP list of sampled parameters one per record END CONSEQUENCES lt list of consequence variables one per record ON FILE VOFINP ONF list of sampled parameters one per record END CALCULATED list of dependent parameters one per record END CONSEQUENCES lt list of consequence variables one per record END 5 1 7 Fixed Files Commentary 61947329 is a random seed used to initialize the pseudorandom number generator 7 is a generator index used to specify one of 227 1 independent generators VQINP SMP is the name of a Standard Text File containing cumulative probabilities Consequence variables
188. s of a self sufficient human household living in the area and using contaminated water foods and materials and internal and external radiation exposure to representative nonhuman biota The biosphere model can contain up to four unique biospheric states i e glaciation cycles temperate permafrost ice sheet and proglacial lake Mass accumulation and distribution is calculated in the models for the intact containers failed containers vault engineered barriers geosphere and biosphere Vi This manual describes the CC4 capabilities limitations execution inputs and outputs error and warning messages and other information needed to run the model ABSTRACT 1 RONMNN 2 1 2 2 2 3 2 3 1 2 3 2 2 3 3 2 3 4 2 3 5 2 3 6 2 4 1 2 4 2 2 4 3 2 4 4 2 4 5 2 4 6 2 5 1 2 5 2 2 5 3 2 5 4 2 5 5 2 5 6 2 5 7 2 5 8 2 5 9 2 5 10 2 5 11 2 5 12 2 5 13 2 5 14 2 5 15 2 5 16 vii TABLE OF CONTENTS Page INTRODUCTION csitt cst us ct v edax riv CR uk ev kcu ow ie iia cn ii BRIEF OVERVIEW OF CC4 CC4 SYSTEM MODEL Hardware and Software Requirements User HISTORY OF THE inciso chu cono
189. sh from the current nuclide at MXSPEC a given time Sv a NLTIM total dose rate to plants from the current nuclide MXSPEC at a given time Sv a NLTIM total dose rate to mammals from the current MXSPEC nuclide at a given time Sv a NLTIM Common Block CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH CQPKNH Parameter MXELCN TMXELC MXGFLX TMXGFL MXLAKE TMXLAK MXLCN TMXLCN MTLSL MTLWL MTSL 89 Table 6 51 Concentration and Mass Accumulation Output Parameters Definition Units maximum element concentration in biosphere compartment mol quantity time of maximum element concentration in biosphere compartment a maximum value of the time series for the total radiotoxicity flux for all nuclides from the geosphere to the biosphere up to time TLIMIT Sv a time of maximum value of the time series for the total radiotoxicity flux for all nuclides from the geosphere to the biosphere up to time TLIMIT a maximum value of the time series for the total radiotoxicity concentration for all nuclides in lake water up to time TLIMIT Sv m3 time of maximum value of the time series for the total radiotoxicity concentration for all nuclides in lake water up to time TLIMIT a maximum concentration of the current biosphere compartment up to TLIMIT mol kg time of maximum concentration of the curr
190. sity MAXLOC DPSDKD TPWID total plume width near well m scalar DPWELL WBDISF well bypass discharge factor scalar DPWELL WPLMC well plume capture fraction scalar DPWELL YGWD orthogonal distance from central flow line scalar DPWELL of well to groundwater divide m 83 Table 6 40 Geosphere Vault Interface Output Parameters Parameter Definition Units Dimension Common Block CAPRKV capacity factor for element in bottom geosphere MXCHEM PARLGV segment connected to vault sector MAXSEC DARRK Darcy velocity for the bottom geosphere segment MAXSEC PARLGV connected to vault sector m a DARRKX Darcy velocity in the x coordinate direction for the MAXSEC PARLGV bottom geosphere segment connected to vault sector m a DARRKY Darcy velocity the y coordinate direction for the PARLGV bottom geosphere segment connected to vault sector m a DARRKZ Darcy velocity in the z coordinate direction for the PARLGV bottom geosphere segment connected to vault sector m a DSVYRK dispersion length in the bottom geosphere segment MAXSEC PARLGV connected to vault sector m PERMRK _ isotropic permeability in the bottom geosphere MAXSEC PARLGV segment connected to vault sector m2 PORRK porosity in the bottom geosphere segment MAXSEC PARLGV connected to vault sector TORRK tortuosity in the bottom geosphere segment MAXSEC PARLGV connected to vault sector Table 6 41 Biosphere Transport Output Pa
191. solution rate calculation The failed container water filled interior is modelled as a well mixed volume The container defect is modelled as a small cylindrical hole through the container wall thickness 2 3 2 Decay and Ingrowth Since the nuclides decay at different rates the relative inventories of the nuclides change with time and some nuclides decay into other nuclides The inventory for all nuclides simulated is determined up to the simulation time limit for linear decay chains 2 3 3 Container Failure The assumed failure mechanism for the containers is through small holes in the outer container shell e g from undetected fabrication defects that permit the ingress of groundwater and the subsequent escape of nuclides The time for this release to start is defined on a vault sector basis i e same for any failed containers within a given vault sector The number of failed containers in each vault sector is determined from the probability of defective containers that fail the total number of containers in each sector and a sector dependent probability variable 2 3 4 Wasteform Degradation and Nuclide Release Release of nuclides from the wasteform is modelled by both congruent and instant release The congruent release follows the wasteform degradation which is modelled using one of four degradation methods Radiolysis used for UO fuel only Solubility Limited currently used for degradation of the Zircaloy cladding Constant Corr
192. st this Number of times during the Time Series Construction stage subsequently some may be deleted and so this limit does not apply to the final form of a Time Series Each Time Series can hold no more than this Number of times in the final version though more times may be used during the Time Series construction phase SYVAC3 adds times to a Time Series Under Construction until the estimated fractional error in the area of the Time Series is less than the Target Fractional Error between each pair of consecutive Fixed Times Exponent used to transform times to a second scale on which each Time Series must be smooth Exponent used to transform values to a second scale on which each Time Series must be smooth The following guidelines should help the user to determine which settings to use Fixed Times Space some fixed times at regular intervals either on a linear or a logarithmic scale depending on the time scale Provide additional fixed times around the time when events of interest are occurring but not too many SYVAC3 will provide additional times as needed Too many fixed times will slow execution time significantly Note that these fixed time points are also used to generate a mini time series in the OUT output file see Section 6 5 3 independent of what SYVAC3 CCA uses for internal calculations If the user wants specific times to appear in this output time series they must be specified in the fixed times 46 e Mi
193. sting is included for shorter lived daughters only HUMOCC human occupancy factor MXBSTA NHMOCC non human occupancy factor MXBSTA SPOCPF TBUILD exposure to wood building material d scalar SPDBLG WIFRAC plant interception fraction for wood scalar SPDBLG WOODYD plant yield for wood kg m scalar SPDBLG WTROCC water immersion occupancy factor scalar SPOCPF Parameter HAAIR HAFOOD HASOIL HAWATR HFISH HINORG HMWATR HPLANT HWOOD Parameter AIRDCF BLDDCF GRDCF IDCF INHDCF WTRDCF 78 Table 6 29 Holdup Time Input Parameters INP File Definition Units animal s air inhalation holdup time d terrestrial animal feed holdup time d animal s soil ingestion holdup time d animal s drinking water holdup time d fish holdup time d inorganic building material holdup time d man s drinking water holdup time d plant holdup time d wood building material holdup time d Dimension NANIML NANIML MXBSTA NANIML NANIML MXBSTA MXBSTA MXBSTA scalar MXBSTA Common Block SPHOLD SPHOLD SPHOLD SPHOLD SPHOLD SPHOLD SPHOLD SPHOLD SPHOLD Table 6 30 Human Dose Coefficient Input Parameters INP File Definition Units air immersion dose conversion factor Sv a Bq m building material dose conversion factor Sv a Bq kg ground exposure dose conversion factor Sv a Bq kg ingestion dose conversion factor Sv Bq Note IDCF for 1 129
194. t doing the general inventory and decay calculations and then doing the transport analysis for each nuclide in the chain list order and for each vault sector within the nuclide loop Geosphere SUB As with the vault time series to fully understand the geosphere and biosphere time series results one must follow the generation of time series through the geosphere or biosphere source code and the explanations given in the CC4 Theory Manual In general the geosphere loops over a segment list for each nuclide passing flows from the segments directly connected to the vault source nodes up through the geosphere to the biosphere discharge nodes After the transport simulation for each nuclide is completed a summary is performed where the consequences are extracted for flow rates at selected nodes in the geosphere Biosphere NDS The biosphere calculations are based on a nuclide loop The total dose curve is maintained as a running summation of all the nuclide doses calculated so far 5 2 2 Parameter File PAR The parameter file is a fixed format text ASCII file that contains the values of all sampled SP INC dependent or calculated DP INC and consequence CQ INC parameters The PAR file containing one line per variable including constants It shows the short name long name value and SI units for each variable All the variables are listed for each simulation The PAR file can be turned on or off by the user and is usu
195. te and extremes case title date and time calculation order of geosphere nodes peak total dose rate and time of peak peak dose rate by nuclide and time of peak dose rate dose rate by nuclide at 10 000 years 54 6 INDEX OF CC4 INPUT AND OUTPUT This chapter presents the input and output parameters for the CC4 08 model It is assumed that all parameters are double precision real unless otherwise indicated A brief explanation is provided for parameters when the code definition may not suffice Dimensioning parameters for all input parameters listed below are found in Section 2 8 2 Input parameters occur in three types One type of input parameters is supplied via the INP Input file and are known as sampled parameters since they are provided as a probability distribution that SYVAC3 then samples to obtain specific values for any given CC4 simulation The second input type is supplied from a fixed data file which is provided as single values and not as a probability distribution The third type of input parameters are those calculated internal to CC4 by other models e g calculated in vault and used in geosphere The user must provide the first two classes of input which are described in this chapter SYVAC3 output parameters are classed as either dependent or consequence In practice dependent parameters typically are intermediate calculational results that may be of interest to the user while consequence par
196. ted by energy fires 0 lt PROLOC lt 1 PROPT indicates whether peat will be burned for MXBSTA SPEPRO energy source No 0 Yes 1 76 Table 6 25 Human Ingestion Inhalation Conversion Factor Input Parameters INP File Parameter Definition Units Dimension Common Block CCONT food carbohydrate content g quantity MXFOOD SPINRT MXBSTA CFVALU carbohydrate fuel value kJ g scalar SPINRT DRATE Man s drinking water rate L a MXBSTA SPINRT ENERGY Man s total energy need kJ d scalar SPINRT FCONT food fat content g quantity MXFOOD SPINRT MXBSTA FFVALU fat fuel value kJ g scalar SPINRT FRATEI Man s food ingestion rate input g d MXFOOD SPINRT MXBSTA IRATE Man s inhalation rate m a MXBSTA SPINRT PCONT food protein content g quantity MXFOOD SPINRT MXBSTA PFVALU protein fuel value kJ g scalar SPINRT SOILHD soil ingestion from hands kg a MXBSTA SPSING Table 6 26 Animal Ingestion Inhalation Conversion Factor Input Parameters INP File Parameter Definition Units Dimension Common Block ADRINK animal s drinking water ingestion rate NANIML MXBSTA SPDOSA L d ATCOEF fish to water concentration ratio MXCHEM SPDOSA mol kg mol L FEEDR animal s feed consumption rate kg d NANIML MXBSTA SPDOSA IRATEA terrestrial animal s inhalation rate m d NANIML MXBSTA SPDOSA SOILR animal s soil ingestion rate kg d NANIML MXBSTA SPDOSA TACOEF terrestrial animal air transfer coefficient MXCHEM
197. tions Onfile Files Standard text file Optional ONF file required for Deterministic or controlled sampling simulations Vault Solubility Standard text file File SOLnn FXD Geosphere Network Standard text file File NETnn FXD Geosphere Standard text file Sorption SORnn FXD FRAC3DVS Control Input File F3Dnn FXD Standard text file FRAC3DVS Data Input File F3D_xxx_nn FXD Standard text file Contents identifying number of input file new or restarted case case title input and output file options simulation ranges requested time series controls INCLUDE file list sampled parameters dependent parameters consequence parameters nuclide list in chain order matrix materials wasteforms PARAMETER statements defining model specific constants common blocks containing model variables lists of quantile values for parameters 0 5 for Median Values lists of actual values for parameters Fixed Nuclide Solubility Data Fixed Network Parameter Data Fixed Sorption coefficient data FRAC3DVS data file name information nuclide names cross reference for FRAC3DVS slice label and geopshere discharge location FRAC3DVS data 5 1 2 Simulation Control 44 Table 5 2 describes the fields that contain the simulation control information These first four records or fields of the input file are the part of the file most likely to change from one case study
198. to time TLIMIT a Value of time series of total dose rate to non NLTIM human biota from all nuclides at a given time MXNHUM Sv a Common Block CQNHTD CQNHTD CQNHTD CQNHTD CQNHTD Parameter PEKDSB PEKDSF PEKDSP PEKDSM MXLDTB MXLDTF MXLDTP MXLDTM TPEAKB TPEAKF TPEAKP TPEAKM VALDTB VALDTF VALDTP VALDTM 88 Table 6 50 Maximum Nuclide Dose Rates to Non Human Biota Definition Units Dimension bird dose rate for all pathways taken at time MXSPEC TPEAKB Sv a NPATHB fish dose rate for all pathways taken at time MXSPEC TPEAKF Sv a NPATHF plant dose rate for all pathways taken at time MXSPEC TPEAKP Sv a NPATHP mammal dose rate for all pathways taken at time MXSPEC TPEAKM Sv a NPATHM maximum value of the total dose rate to birds MXSPEC from current nuclide up to time TLIMIT Sv a maximum value of the total dose rate to fish from MXSPEC current nuclide up to time TLIMIT Sv a maximum value of the total dose rate to plants MXSPEC from current nuclide up to time TLIMIT Sv a maximum value of the total dose rate to MXSPEC mammals from current nuclide up to time TLIMIT Sv a time of maximum dose rate to birds a MXSPEC time of maximum dose rate to fish a MXSPEC time of maximum dose rate to plants a MXSPEC time of maximum dose rate to mammals a MXSPEC total dose rate to birds from the current nuclide MXSPEC at a given time Sv a NLTIM total dose time to fi
199. ut Note that this output time series is independent of that used internally by SYVAC3 CC4 for calculations The total dose for all pathways per nuclide simulated is presented in Table 6 47 As in Table 6 46 the maximum value and time of maximum are reported for two time ranges The peak dose rates are given for each pathway and nuclide for the time of maximum dose rate per nuclide for all pathways combined The parameters for integrated nuclide dose for each pathway and the nuclide order are presented in Table 6 48 Table 6 48 also describes the consequence parameter VALDT The maximum total dose rate and time of maximum total dose rate to non human biota are listed in Table 6 49 These values are determined for two time ranges as was done for the parameters in Table 6 46 Also listed in Table 6 49 is VALDNA this is similar to the parameter VALDA in Table 6 46 a subseries of the final total dose rate time series for NLTIM values The peak and maximum nuclide dose rates are listed in Table 6 50 The peak dose rates are given for each pathway and nuclide for the time of maximum dose rate per nuclide for all pathways combined This is done for each type of non human biota bird fish mammal and plant A subseries of the dose rate time series for each nuclide and type non human biota is also listed The biosphere model determines the maximum concentration and time of maximum concentration for each nuclide and a set of twelve biosphere
200. ut file The sampling method determines how the sampled parameters are generated All the parameters grouped together within one sampling method have their values assigned the same way The supported sampling methods are e Random Sampling A pseudorandom number generator produces a sequence of numbers uniformly distributed between zero and one one for each parameter This number is treated as a cumulative probability It is transformed mathematically to a 47 value in the distribution that has that cumulative probability For example the cumulative probability 0 50 corresponds to the median of the distribution whereas probabilities zero and one corresponds to the left and right extremes respectively The only random sampling method prior to SV310 was RANDOM RANDOM 2 is a better generator and each generator index guarantees an independent sequence of numbers which was not true for RANDOM Quantile Sampling A p quantile of a distribution is a value with the cumulative probability p Quantile sampling works like random sampling except that the p values which must lie between zero and one are read from a file The file name can contain up to MAXFNL characters MAXFNL stands for MAXimum File Name Length In SV311 MAXFNL is set to 32 e On File Sampling Like the quantile sampling method this one uses an auxiliary file In the on file method the entries in the file are the actual parameter values They may or may not lie within th
201. wo called drawdown nodes define two short segments leading to the well and are placed at specified distances from the well node in the aquifer These two drawdown nodes are used to represent the shape of the hydraulic head drawdown created near the well by pumping This set of well nodes is connected to the rest of the transport network through one or more well capture nodes that collect the contaminants moving from other parts of the network and lead them to the well The positions of these nodes the well discharge node the well node in the aquifer and the drawdown nodes are adjusted automatically by CC4 to give the user input well depth i e the vertical distance between the well node at the surface and the node representing the intersection of the well with the aquifer The well node in the aquifer is moved along the central flow line and the well discharge node is located at the ground surface vertically above 2 5 4 Drawdowns in the Aquifer due to Well The effect of the well is to perturb the reference groundwater flow field in the aquifer containing the well This is modelled by adjusting the hydraulic head at the position of each node in the aquifer containing the well using the Analytical Well Model Equations AWME described in the CC4 Theory Manual The groundwater velocities are recalculated once the head drawdowns have been determined Wells that are not deeper than the bottom of the overburden layer are classed as overburde
202. x Technetium OH 3CO3 04 01 carbonate index Plutonium 3 04 02 carbonate index Plutonium PuOH 2 04 03 carbonate index Plutonium Pu OH 4 aq 04 04 carbonate index Plutonium Pu H2P04 2 04 05 carbonate index Plutonium PuSO4 05 01 carbonate index Neptunium Np 3 05 02 carbonate index Neptunium NpO2 05 03 carbonate index Neptunium Np 2 2 05 04 carbonate index Neptunium Np 4 aq 05 05 carbonate index Neptunium NpO2 OH 2 05 06 carbonate index Neptunium NpO2 OH aq 05 07 carbonate index Neptunium NpF2 2 05 08 carbonate index Neptunium NpO2F aq 05 09 carbonate index Neptunium Np S04 2 05 10 carbonate index Neptunium NpO2SO4 5 11 carbonate index Neptunium NpO2CO3 i RI RY m m m mmmmmmmmmmmmmmmmmmmmmmmmmnmnmmmmmmmmnmnmmmmmmim 2 12 carbonate index Neptunium NpO2 2 3 13 carbonate index Neptunium 02 CO3 3 5 5 14 carbonate index Neptunium NpO2 HPO4 05 pn carbonate index Neptunium NpO2Cl aq 1 HPO4 2 index Uranium 002 2 2 HPO4 2 index Uranium 002 3 HPO4 2 index Uranium 002 0 4 HPO4 2 index Uranium 002 3 7 5 HPO4 2 index Uranium 002 2 AQ 6 HPO4 2 index Uraniu
203. xial dispersion length for damaged zone m scalar SPTHCK LETBAK axial transverse dispersion length for backfill m scalar SPTHCK LETDAM axial transverse dispersion length for damaged scalar SPTHCK zone m RAPERD ratio of transverse to axial permeability for scalar SPBACK damaged zone RAPERZ ratio of damage zone permeability parallel to the scalar SPBACK axis of the disposal room and the permeability on the host rock RARDAM ratio of radial to axial dispersion length for scalar SPTHCK damaged zone RATDAM ratio of radial to axial transverse dispersion scalar SPTHCK length for damaged zone TORDAM tortuosity of damaged zone scalar SPVLT 66 Table 6 10 Geosphere Segment Input Parameters INP File Parameter Definition Units Dimension Block SGDSPF dispersion length factor MAXSEG SPSEG1 SGGWVI segment groundwater velocity input m a MAXSEG SPSEG1 SGHYCO hydraulic conductivity m a MAXSEG SPSEG1 SGPERM permeability MAXSEG SPSEG2 SGSFRI initial source fraction MAXSEG SPSEG2 SGTFRL transfer length m MAXSEG SPSEG2 SGFAPT effective aperture of fractures m MXPPCL SPSEG3 SGFSPA effective spacing of fractures m MXPPCL SPSEG3 SGPROS total porosity MXPPCL SPSEG3 SGRETM factor for retardation in matrix MXPPCL SPSEG3 SGTORA axial tortuosity MXPPCL SPSEG3 SGTORM matrix diffusion tortuosity MXPPCL SPSEG3 VSCALE scaling factor for groundwater velocities scalar SPSEG1 Table 6 11
204. y have large local errors where absolute values are relatively small Time series accuracy can be improved through the input file by judicious choice of the time series smoothing parameter values by defining required time points where important results are expected by increasing the allowed number of time points per series and by reducing the target fractional error in creating a time series Time series may accumulate errors when numerous small time series are added onto a few significant time series e g in calculating total dose as a sum of individual nuclide dose rates This shows as a waterfall shaped time series profile at the fixed time points It can be minimized by ordering the nuclides in the chain list such that the most significant nuclides to total dose are calculated later The decay chain inventory solution may not be accurate if the half lives range over more than a factor of 10 but for real decay chains has been found to be accurate to within 0 2 2 9 DEFAULT PARAMETERS 2 9 1 Fixed Parameters Default parameters are defined through PARAMETER statements in the INCLUDE files and can be changed by recompiling the code The main default parameters are as follows AVOGAD GRAVAC MNHLIF MXHLIF PI T273K TDELTA CFDPA CFM3PL CFSPA CFSPD RADLYS SOLLIM CNSTCR INSRLS NHMAML NHBIRD NHPLNT NHFISH MAMLNH BIRDNH PLNTNH MEAT MILK BIRD PLANT FISH NONE LAKE WELL ATMOS SAND LOAM CLAY ORGANC F
205. ypes in the biosphere 10 maximum number of geosphere states MXPPCL MXSPEC MXSTSZ MXTERR MXTSTP MXWATR NANIML NBMAT NCCOMP NCOMP NDEPOS NHNANI NHTANI NHTERR NPATH NPATHB NPATHF NPATHP NPATHM NSOIL NTERR NLTIM 24 20 maximum number of physical property classes for segments in geosphere transport network 40 maximum number of chemical species i e elements modelled increased in CC4 from SV311 default value 60000000 maximum storage size for common blocks 7 number of terrestrial biota MEAT MILK BIRD PLANT MAMLN BIRDN PLNTN 900 maximum number of time steps in a time series 3 number of types of water sources 3 number of terrestrial animal food types used in the biosphere 2 number of building materials 6 number of biosphere compartments used for chemical toxicity 18 number of compartments in the biosphere consequences 3 number of deposition sources 3 number of animals receiving a dose 2 number of terrestrial animals receiving a dose 3 number of terrestrial non humans biota receiving a dose 26 number of possible pathways by which man receives dose 10 number of possible pathways by which birds receive dose 3 number of possible pathways by which fish receive dose 5 number of possible pathways by which plants receive dose 10 number of possible pathways by which mammals receive dose 4 number of types of soil 4 number of terrestrial food types 25 number of user

SYVAC3-CC4 USER MANUAL - Nuclear Waste Management

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