| 1 | #*------------------------------------------------------------------- |
|---|
| 2 | * EMSO Model Library (EML) Copyright (C) 2004 - 2007 ALSOC. |
|---|
| 3 | * |
|---|
| 4 | * This LIBRARY is free software; you can distribute it and/or modify |
|---|
| 5 | * it under the therms of the ALSOC FREE LICENSE as available at |
|---|
| 6 | * http://www.enq.ufrgs.br/alsoc. |
|---|
| 7 | * |
|---|
| 8 | * EMSO Copyright (C) 2004 - 2007 ALSOC, original code |
|---|
| 9 | * from http://www.rps.eng.br Copyright (C) 2002-2004. |
|---|
| 10 | * All rights reserved. |
|---|
| 11 | * |
|---|
| 12 | * EMSO is distributed under the therms of the ALSOC LICENSE as |
|---|
| 13 | * available at http://www.enq.ufrgs.br/alsoc. |
|---|
| 14 | * |
|---|
| 15 | *-------------------------------------------------------------------- |
|---|
| 16 | * Sample file for model pfr |
|---|
| 17 | * |
|---|
| 18 | * |
|---|
| 19 | * Adiabatic Production of Acetic Anhydride with a PFR |
|---|
| 20 | * |
|---|
| 21 | * Based on Example 8-6 of Elements of Chemical Reaction Engineering |
|---|
| 22 | * Second Edition H. Scott Fogler |
|---|
| 23 | * |
|---|
| 24 | * |
|---|
| 25 | *-------------------------------------------------------------------- |
|---|
| 26 | * |
|---|
| 27 | * This sample file needs VRTherm (www.vrtech.com.br) to run. |
|---|
| 28 | * |
|---|
| 29 | *---------------------------------------------------------------------- |
|---|
| 30 | * Author: Rafael de P. Soares |
|---|
| 31 | * Paula B. Staudt |
|---|
| 32 | * $Id: sample_pfr.mso 814 2009-08-05 19:02:18Z rafael $ |
|---|
| 33 | *--------------------------------------------------------------------*# |
|---|
| 34 | |
|---|
| 35 | using "reactors/pfr"; |
|---|
| 36 | |
|---|
| 37 | FlowSheet PFR_AceticAnhydride |
|---|
| 38 | |
|---|
| 39 | PARAMETERS |
|---|
| 40 | |
|---|
| 41 | PP as Plugin (Brief="Physical Properties", |
|---|
| 42 | Type = "PP", |
|---|
| 43 | Components = ["acetone", "ketene", "methane" ], |
|---|
| 44 | LiquidModel = "PR", |
|---|
| 45 | VapourModel = "PR" |
|---|
| 46 | ); |
|---|
| 47 | NComp as Integer; |
|---|
| 48 | SET |
|---|
| 49 | NComp = PP.NumberOfComponents; |
|---|
| 50 | |
|---|
| 51 | DEVICES |
|---|
| 52 | s1 as source; |
|---|
| 53 | Reac as pfr; |
|---|
| 54 | |
|---|
| 55 | CONNECTIONS |
|---|
| 56 | s1.Outlet to Reac.Inlet; |
|---|
| 57 | |
|---|
| 58 | SET |
|---|
| 59 | Reac.NDisc = 15; |
|---|
| 60 | Reac.L = 2.28 * 'm'; |
|---|
| 61 | # Area was chosen to match the original example data |
|---|
| 62 | Reac.Across = 1.27*'m^3'/Reac.L; |
|---|
| 63 | |
|---|
| 64 | # Only one reaction |
|---|
| 65 | Reac.NReac = 1; |
|---|
| 66 | # Reaction 1: acetone -> ketene + methane |
|---|
| 67 | Reac.stoic(:,1) = [-1, 1, 1]; |
|---|
| 68 | |
|---|
| 69 | SPECIFY |
|---|
| 70 | # Feed specification |
|---|
| 71 | s1.Fw = 8000 * 'kg/h'; |
|---|
| 72 | s1.T = 1035 * 'K'; |
|---|
| 73 | s1.P = 1.6 * 'atm'; |
|---|
| 74 | s1.Composition = [0.98, 0.01, 0.01]; |
|---|
| 75 | |
|---|
| 76 | # Adiabatic |
|---|
| 77 | Reac.q = 0 * 'J/s'; |
|---|
| 78 | |
|---|
| 79 | EQUATIONS |
|---|
| 80 | |
|---|
| 81 | for z in [1:Reac.NDisc] do |
|---|
| 82 | |
|---|
| 83 | "Reaction Rate = k*C(1)" |
|---|
| 84 | Reac.r(1,z) = exp(34.34 - (34222 * 'K') / Reac.str(z).T)*'1/s' * Reac.C(1,z); |
|---|
| 85 | |
|---|
| 86 | "Heat of reaction" |
|---|
| 87 | Reac.Hr(1,z) = -80.77 * 'kJ/mol'; |
|---|
| 88 | |
|---|
| 89 | "Pressure Drop (no pressure drop)" |
|---|
| 90 | Reac.str(z+1).P = Reac.str(z).P; |
|---|
| 91 | |
|---|
| 92 | end |
|---|
| 93 | |
|---|
| 94 | INITIAL |
|---|
| 95 | |
|---|
| 96 | for z in [2:Reac.NDisc+1] do |
|---|
| 97 | Reac.str(z).T = Reac.Inlet.T; |
|---|
| 98 | Reac.str(z).z(1:NComp) = Reac.Inlet.z(1:NComp); |
|---|
| 99 | end |
|---|
| 100 | |
|---|
| 101 | OPTIONS |
|---|
| 102 | Dynamic = true; |
|---|
| 103 | TimeStep = 0.05; |
|---|
| 104 | TimeEnd = 10; |
|---|
| 105 | #GuessFile = "PFR_AceticAnhydride"; |
|---|
| 106 | #Dynamic = false; # Requires a GuessFile from a dynamic simulation |
|---|
| 107 | end |
|---|
