Manual For Reactor Analysis - Minerals Processing Research Institute
Contents
1. Note To check the data input click at the Display button to display the reactions as above For reaction number larger than 10 or for reactants more than 12 use the campus like button to scroll up down left and right REACTIONS 7 E E Reaction Reaction Reaction Reaction Reaction Reaction Reaction oon t N Reacti Reaction THT ttt THEE For each reaction use for reactants and for product components lt 4 1111111116 d Figure D 6 Stoichiometry Input Screen 3 Click at the Reaction Rate icon to enter the order of each reaction with respect to each component that contribute in that reaction Forward and reverse reaction orders are entered in the Reaction Rate Screen See Figure D 7 for illustration on how to enter following reaction rate expression 14 ki Ca 1 where r14 Rate of reaction 1 expressed in terms of disappearance of component A ky Rate constant for reaction Number 1 Ca Concentrations for components A i REACTION RATE 1 1 1 Cb 1 Cc Cd 10 10 Figure 0 7 Reaction Rate Order Screen Note If reaction order is zero with respect to one component enter 0 0 in the data entry above the component symbol Use the spin button to s2. 5 730787 02 5 730787E 02 1 874088 03 21132203E 04 0 3786642 15 9377186 02 15 937718 02 1 997266E 04 0 3768521 6 118407E 02 6 118407E 02 1 517655E 03 1 87839 04 10 3753608 Figure 0 15 Tabular Output Display 3 02 6 277592E 02 1 42718 03
3. phase oxidation of o Xylene in an agitated gas liquid reactor example GasliqCSTR rec in Examples folder The introductory screen of the program is shown in Figure D 1 REACTOR FLOWSHEET React Sim xi File Reaction Reactor 1 xl Figure 1 ReaCat Startup Screen The File menu has standard file handling options such as opening file saving printing etc The Reaction menu is used to indicate the reaction phase Reaction Menu items are shown in Figure D 2 Gas Homogeneous Liquid Homogeneous Catalytic Gas Catalytic Liquid v Gas Liquid Catalytic Gas Liquid Figure D 2 Reaction Menu For the current case the reaction phase is gas liquid This is selected by clicking on it once A check mark will appear next to the choice indicating that the reaction phase has been chosen The next menu is Reactor Type This is used to select appropriate reactor The items of this menu depend upon the choice of reaction phase For example if user chooses homogeneous gas phase then the Reactor Type menu items will be PFR CSTR and Batch reactor Following is a list of reactors available in ReaCat i Homogeneous Reactors Reaction Homogenous Gas Liquid Plug Flow CSTR Batch ii Heterogeneous Reactors Two phase Catalytic Reactors Reaction Catalytic Gas Liquid Fixed Bed Il Sulfuric Acid Production Ill Fluidized Bed Gas Liquid N
4. Reactor Analysis User Manual And Tutorial Jamal M Saleh Jack R Hopper and Carl L Yaws Lamar University March 1 2001 Copyright 2001 Mineral Processing Research Institute Louisiana State University Baton Rouge LA 70803 DISCLAIMER Mineral Processing Research Institute MPRI makes warranties express or implied including without limitation the implied warranties of merchantability and fitness for particular purpose regarding the MPRI software MPRI does not warrant guarantee or make any representation regarding the use or the results of the use of the MPRI software in terms of its correctness accuracy reliability currentness or otherwise The entire risk as to the results and performance of the MPRI software is assumed by you In no event will MPRI its director officers employees or agents be liable to you for any consequential incidental or indirect damages including damage for loss of business profits business interruption loss of business information and the like arising out of the use or inability to use the MPRI software even if MPRI has been advised of the possibility of such damages Operation Manual Once ReaCat has been installed in your system open any of the case studies from the examples folder Example for Gas liquid CSTR Given below is the data input output procedure for gas liquid reactors using the captured images of different screens Example used for demonstration purpose is liquid
5. aoatal EXIT Figure D 10 Reactor Specifications Screen Feed Compositions By clicking on the FEED in the reactor specification screen Fig D 10 user can enter the inlet or initial feed composition the following figure displays the FEED screen for the case under consideration w FEED CONDITIONS Iof x Component Liq Phase Conc Lbmol ft3 Gas Phase Partial Pressure Psia D 0 438 Y Figure D 11 Feed Composition Screen MSDATA Mass transfer Data This input varies depending on the choice of reactor For agitated reactors certain reactor configuration and operating parameters like stirrer diameter speed and height from base and liquid height from base are required In case of packed bed reactors reactor configuration and properties like specific surface area of packing void fraction critical surface tension of liquid and gas viscosity are required Clicking the MSDATA button on the reactor specification screen brings up the input screen where mass transfer data can be provided Figure D 12a D 12b shows the input screen for an agitated gas liquid reactor and packed bed reactor respectively Data for Mass Transfer Coefficient P Ea Figure D 12a MSDATA Input Screen for agitated gas liquid Reactor Data for Mass Transfer Coefficient Figure 0 126 MSDATA Input Screen for Packed Bed Reactor Note In case the value of
6. croll for reaction numbers higher than 10 4 Click at the Reaction Rate options button to enter the basis component and the enhancement factor for each reaction Each reaction rate should be expressed based on a formation or depletion of a component that appears in the stoichiometry of the reaction as a reactant or as a product In case the user does not enter a value of the enhancement factor it is calculated as discussed in Chapter Three For example the reaction rate for reaction 1 is expressed in terms of the depletion of Component A So the basis for reaction 1 is A See Figure D 8 ia REACTION RATE 3 Reaction Rate Per Mole Enhancement No Of Factor B FOR EXAMPLE ENTER A THE REACTION RATE IS PER UNIT OF COMP DISAPPEARANCE HEAT OF REACTION IS PER UNIT MOLE OF THE SAME REFERANCE COMP Figure D 8 Reaction Rate Options Screen For non isothermal systems a second entry column for the heat of reaction will be displayed Heat of reaction for each reaction is also expressed per unit mole of the basis component of the reaction Note For exothermic reactions use a negative value for the heat of reaction while a positive value should be used for endothermic reactions 5 Click at the Reaction Constant icon to display the Reaction Rate Constant input screen Figure D 9 The forward reaction constant k and the equilibrium constant Ke for each reaction may be entere
7. d here according to an Arrhenius type equation k Aexp E RT Ke Ae exp EJRT w REACTION CONSTANT iof X Forward Reaction Constant Equilibrium Reaction Constant Ki 2400 K2 K3 efo Kes n 4 o e n RT Ke4 0 e o K5 o 0 5 n 0 RT 0 fo RT 0 n efo 0 e 5 8 n RT Ke8 0 e 0 K3 0 RT p 0 Ke10 0 Constants are in units Min Psia Ibmole and 3 T in Deg E BTU Lbmol R 1 987 BTU Lbmol R Figure D 9 Reaction Rate Constants Screen When E 0 this indicate that the reaction rate constant is not a function of temperature The same applies to the equilibrium constants as well Units for the reaction constant are in Min lbmol and ft While T stands for temperature in R E in BTU Ibmol R is 1 987 Btu bmol R Reactor Specifications Each one of the reactor types has a unique data input screen The user may specify the reactor dimensions such as the length diameter or volume The input volumetric flow rate is also set in this screen To display the reactor data input screen click on the reactor specification icon Data Input Screen for an agitated gas liquid reactor is shown in Figure D 10 REACTOR SPECIFICATION 22598 86976 861 582 resp lame 2 fa
8. in Figure D 14 The user can display the data in a tabular form by clicking on the Data option The tabular display is shown in Figure D 15 Graphical and tabular display have several options to display the different output data such as concentration conversion temperature and pressure as a function of the reactor volume Display options be selected from Figure D 14 or D 15 i REACTOR FLOWSHEET OD sandeep Three Examples GasLiqCS TR REC Tex gt File Reaction Reactor Type xj H Concentration Ibmol ft3 Oxygen 0 Xylene O MethylBenzoic Acid Water 180 220 Volume Gal Figure D 14 Graphical Output Display m REACTOR 0 0 438 D sandeep T hree Examples G asLiqUS TR REC 15 392012 04 0 4228038 501678E 02 ft 501678E 02 5 022821E 03 4 142902E 03 4 626568E 04 0 4123106 2 576745E 02 2 5767456 02 0 0035341 4 038995E 04 10 4043045 375528E 02 375528E 02 3 079494E 03 3 583398 04 0 3982418 3 331228E 02 991228 02 2 728514 03 3 218845 04 0 3933061 4 481959E 02 4 481959E 02 l2 449348E 03 ESE Sa di 2 674024E 04 12 921319 04 0 389287 0 3859525 4 88155 02 4 88155 02 5 15 213274 02 5 213274E 02 mo 12 033273 03 2 465229E 04 12 286679 04 0 3831421 0380744 5 5 431383E 02 431383E 02
9. mass transfer coefficient kl ft hr is entered in the Physical properties screen then the user would have to provide the value of the interfacial area also Clicking the MSDATA button on the reactor specification screen brings up the input screen for interfacial area Heat Transfer Data Whenever the energy model is other than isothermal See Global Options Screen Figure D 4 The reactor specification screen will have an active Heat Trans button This is used to input the reactor heat transfer specifications Data required include surrounding temperature Overall heat transfer coefficient based on unit area or length of reactor and area available for heat transfer See Figure D 13 im Reactor Heat Transfer Data ioj Xx Surrounding Temp F 0 Overall Heat Transfer Coeff BTU H1 F FT2 0 Heat Transfer Area Unit Reactor Volume ft2 gal fo Figure D 13 Heat Transfer Data Input Screen Note For the present case Heat Trans Button will be disabled as the energy model is isothermal Running the Simulation l As the data input procedure is complete it is recommended that user saves the work by using Save Save as from the file menu The case can be executed by clicking the Run key The total reactor length will be divided by the number of increments Specified in the Global Option screen and the calculations will be performed for each increment The results will be displayed graphically as shown
10. oncatalytic Reactors Reaction Phase Gas Liquid l Continuous Stirred Tank Il Packed Column Three Phase Reactors Reaction Phase Gas Liquid Solid l Three phase Trickle bed Ill Three phase Bubble Fixed Bed Ill Three phase Catalytic Gas Liquid Slurry Stirred Tank IV Three phase Catalytic Gas Liquid Slurry Bubble Bed V Three phase Catalytic Gas Liquid Fluidized Bed For the current example reaction phase chosen is gas liquid For this phase Reactor Type menu is shown in Figure D 3 v CSTR p Sulfuric amp cid Production Packed Column Figure D 3 Reactor Type Menu for Gas Liquid Reactions After choosing reaction phase and reactor type next step is to input the data required to run the simulation Clicking on any of the icon in the toolbar brings up an input screen Brief Definition of each icon can be seen by resting the mouse pointer over it Data has to be entered in the same order in which the buttons are placed Following is a brief description of each icon and the corresponding input screen Global options The reactor program global option include Figure B 4 Number of reactions and number of species Number of calculation increments Inlet temperature and pressure Energy model isothermal non isothermal or adiabatic Flow model Plug Flow Dispersion Data Type Concentration Partial Pressure w GLOBAL OPTIONS Figure D 4 Global Options Input Screen Ph
11. ysical properties The species name molecular weight heat capacity and molecular diffusivity are entered in the property screen Also mixture properties such as density for liquid phase reactions only viscosity are also entered here See Figure D 5 To display the physical property screen click on the physical property icon on the toolbar im REACTANT PROPERTIES Figure D 5 Physical Properties Input Screen AsB Kinetic data k The user must also supply the reaction kinetic data such as reaction stoichiometry reaction rate orders reaction constant expression reaction rate and equilibrium constants k The order in which this data entered is important The data must be supplied in the following order 1 From the Global option screen e number of reactions and the total number of species including any inerts must be set 2 Click at the stoichiometry to enter the Kinetic Data The first screen displayed will allow the user to input the reaction stoichiometry coefficients Figure D 6 displays the Stoichiometry screen A negative stoichiometry coefficient indicates that this component is acting as a reactant species for current reaction while a positive coefficient indicates a reaction product Figure D 6 displays the input data for the following set of reactions 1 5A 1B gt 1C 1D Where A represents Oxygen B represents o xylene and C represents o methylbenzoic acid
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