1 | #*------------------------------------------------------------------- |
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2 | * EMSO Model Library (EML) Copyright (C) 2004 - 2007 ALSOC. |
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3 | * |
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4 | * This LIBRARY is free software; you can distribute it and/or modify |
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5 | * it under the therms of the ALSOC FREE LICENSE as available at |
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6 | * http://www.enq.ufrgs.br/alsoc. |
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7 | * |
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8 | * EMSO Copyright (C) 2004 - 2007 ALSOC, original code |
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9 | * from http://www.rps.eng.br Copyright (C) 2002-2004. |
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10 | * All rights reserved. |
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11 | * |
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12 | * EMSO is distributed under the therms of the ALSOC LICENSE as |
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13 | * available at http://www.enq.ufrgs.br/alsoc. |
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14 | * |
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15 | *-------------------------------------------------------------------- |
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16 | * Sample file for model pfr |
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17 | * |
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18 | * |
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19 | * Adiabatic Production of Acetic Anhydride with a PFR |
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20 | * |
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21 | * Based on Example 8-6 of Elements of Chemical Reaction Engineering |
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22 | * Second Edition H. Scott Fogler |
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23 | * |
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24 | * |
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25 | *-------------------------------------------------------------------- |
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26 | * |
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27 | * This sample file needs VRTherm (www.vrtech.com.br) to run. |
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28 | * |
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29 | *---------------------------------------------------------------------- |
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30 | * Author: Rafael de P. Soares |
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31 | * Paula B. Staudt |
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32 | * $Id: sample_pfr.mso 82 2006-12-08 20:11:44Z paula $ |
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33 | *--------------------------------------------------------------------*# |
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34 | |
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35 | using "reactors/pfr"; |
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36 | |
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37 | FlowSheet PFR_AceticAnhydride |
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38 | PARAMETERS |
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39 | PP as CalcObject(Brief="Physical Properties",File="vrpp"); |
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40 | NComp as Integer; |
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41 | |
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42 | DEVICES |
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43 | s1 as streamTP; |
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44 | Reac as pfr; |
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45 | |
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46 | SET |
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47 | PP.Components = ["acetone", "acetic anhydride", "methane" ]; |
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48 | PP.LiquidModel = "PR"; |
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49 | PP.VapourModel = "PR"; |
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50 | |
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51 | NComp = PP.NumberOfComponents; |
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52 | |
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53 | Reac.NDisc = 10; |
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54 | Reac.Across = 0.7 * "in^2"; |
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55 | Reac.L = 2.28 * "m"; |
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56 | Reac.NReac = 1; |
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57 | |
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58 | # Reaction 1: A -> B + C |
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59 | Reac.stoic(:,1) = [-1, 1, 1]; |
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60 | |
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61 | EQUATIONS |
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62 | |
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63 | for z in [1:Reac.NDisc] |
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64 | "Reaction Rate = k*C(1)" |
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65 | Reac.r(1,z) = exp(34.34 - (34222 * "K") / Reac.str(z).T)*"1/s" * Reac.C(1,z); |
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66 | |
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67 | "Heat of reaction" |
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68 | Reac.Hr(1,z) = -80.77 * "kJ/mol"; |
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69 | |
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70 | "Pressure Drop (no pressure drop)" |
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71 | Reac.str(z+1).P = Reac.str(z).P; |
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72 | end |
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73 | |
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74 | SPECIFY |
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75 | s1.F = 138/1000 * "kmol/h"; |
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76 | s1.T = 1035 * "K"; |
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77 | s1.P = 1.6 * "atm"; |
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78 | s1.z = [1, 0, 0]; |
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79 | |
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80 | "Adiabatic" |
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81 | Reac.q = 0 * "J/s"; |
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82 | |
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83 | CONNECTIONS |
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84 | s1 to Reac.Inlet; |
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85 | |
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86 | INITIAL |
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87 | for z in [2:Reac.NDisc+1] |
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88 | Reac.str(z).T = Reac.Inlet.T; |
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89 | Reac.str(z).z(1:NComp-1) = Reac.Inlet.z(1:NComp-1); |
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90 | end |
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91 | |
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92 | OPTIONS |
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93 | # This model can be solved in both steady or dynamic |
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94 | #mode = "steady"; |
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95 | time = [0:0.05:3] * "s"; |
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96 | NLASolver = "sundials"; |
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97 | #DAESolver = "dassl"; |
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98 | end |
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