| 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 | * Samples of a stoichiometric reactor |
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| 17 | *---------------------------------------------------------------------- |
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| 18 | * |
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| 19 | * This sample file needs VRTherm (www.vrtech.com.br) to run. |
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| 20 | * |
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| 21 | *---------------------------------------------------------------------- |
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| 22 | * |
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| 23 | * There are three parallel reactions involved: |
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| 24 | * (1) C4H6(1,3-butadiene) + H2 --> C4H8(1-butene) |
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| 25 | * (2) C4H6(1,3-butadiene) + H2 --> C4H8(cis-2-butene) |
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| 26 | * (3) C4H6(1,3-butadiene) + H2 --> C4H8(trans-2-butene) |
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| 27 | * |
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| 28 | *---------------------------------------------------------------------- |
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| 29 | * Author: Rodolfo Rodrigues |
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| 30 | * $Id$ |
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| 31 | *--------------------------------------------------------------------*# |
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| 32 | |
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| 33 | using "reactors/stoic"; |
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| 34 | |
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| 35 | |
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| 36 | #*---------------------------------------------------------------------- |
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| 37 | * only vapour phase and |
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| 38 | * the extents of reactions are known |
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| 39 | *---------------------------------------------------------------------*# |
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| 40 | FlowSheet sample_stoic_extent_vap |
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| 41 | PARAMETERS |
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| 42 | PP as Plugin(Brief="External physical properties", Type="PP", |
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| 43 | Components = ["1,3-butadiene", "hydrogen", "1-butene", |
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| 44 | "cis-2-butene", "trans-2-butene"], |
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| 45 | LiquidModel = "IdealLiquid", |
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| 46 | VapourModel = "Ideal"); |
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| 47 | NComp as Integer; |
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| 48 | |
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| 49 | DEVICES |
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| 50 | Fin as source; |
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| 51 | R as stoic_extent_vap; |
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| 52 | |
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| 53 | CONNECTIONS |
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| 54 | Fin.Outlet to R.Inlet; |
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| 55 | |
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| 56 | SET |
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| 57 | NComp = PP.NumberOfComponents; |
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| 58 | |
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| 59 | R.NReac = 3; |
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| 60 | |
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| 61 | R.stoic(:,1) = [-1, -1, 1, 0, 0]; # (1) |
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| 62 | R.stoic(:,2) = [-1, -1, 0, 1, 0]; # (2) |
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| 63 | R.stoic(:,3) = [-1, -1, 0, 0, 1]; # (3) |
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| 64 | |
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| 65 | SPECIFY |
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| 66 | Fin.F = 1000*'kmol/h'; |
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| 67 | Fin.Composition = [0.25, 0.75, 0, 0, 0]; |
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| 68 | Fin.P = 10*'kgf/cm^2'; |
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| 69 | Fin.T = 500*'K'; |
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| 70 | |
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| 71 | R.Outlet.F = 1000*'kmol/h'*sqrt(R.Tank.Level/'m'); |
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| 72 | R.Outlet.P = 10*'kgf/cm^2'; |
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| 73 | R.Q = 0*'W'; |
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| 74 | |
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| 75 | R.extent = [85, 65, 75]*'kmol/h'; |
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| 76 | R.Tank.Across = 150*'cm^2'; |
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| 77 | R.Tank.L = 350*'cm'; |
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| 78 | |
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| 79 | INITIAL |
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| 80 | R.Outletm.T = 500*'K'; |
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| 81 | R.M = [25, 75, 0, 0, 0]*'kmol'; |
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| 82 | |
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| 83 | OPTIONS |
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| 84 | TimeStep = 5; |
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| 85 | TimeEnd = 150; |
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| 86 | end |
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| 87 | |
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| 88 | |
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| 89 | #*---------------------------------------------------------------------- |
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| 90 | * only vapour phase and |
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| 91 | * the conversion of a key component is known |
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| 92 | *---------------------------------------------------------------------*# |
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| 93 | FlowSheet sample_stoic_conv_vap |
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| 94 | PARAMETERS |
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| 95 | PP as Plugin(Brief="External physical properties", Type="PP", |
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| 96 | Components = ["1,3-butadiene", "hydrogen", "1-butene", |
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| 97 | "cis-2-butene", "trans-2-butene"], |
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| 98 | LiquidModel = "IdealLiquid", |
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| 99 | VapourModel = "Ideal"); |
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| 100 | NComp as Integer; |
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| 101 | |
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| 102 | DEVICES |
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| 103 | Fin as source; |
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| 104 | R as stoic_conv_vap; |
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| 105 | |
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| 106 | CONNECTIONS |
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| 107 | Fin.Outlet to R.Inlet; |
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| 108 | |
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| 109 | SET |
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| 110 | NComp = PP.NumberOfComponents; |
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| 111 | |
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| 112 | R.NReac = 3; |
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| 113 | R.KComp = 1; # 1,3-butadiene |
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| 114 | |
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| 115 | R.stoic(:,1) = [-1, -1, 1, 0, 0]; # (1) |
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| 116 | R.stoic(:,2) = [-1, -1, 0, 1, 0]; # (2) |
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| 117 | R.stoic(:,3) = [-1, -1, 0, 0, 1]; # (3) |
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| 118 | |
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| 119 | SPECIFY |
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| 120 | Fin.F = 1000*'kmol/h'; |
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| 121 | Fin.Composition = [0.25, 0.75, 0, 0, 0]; |
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| 122 | Fin.P = 10*'kgf/cm^2'; |
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| 123 | Fin.T = 500*'K'; |
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| 124 | |
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| 125 | R.Outlet.F = 1000*'kmol/h'*sqrt(R.Tank.Level/'m'); |
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| 126 | R.Outlet.P = 10*'kgf/cm^2'; |
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| 127 | R.Q = 0*'W'; |
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| 128 | |
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| 129 | R.kconv = 0.9; |
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| 130 | R.Tank.Across = 150*'cm^2'; |
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| 131 | R.Tank.L = 350*'cm'; |
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| 132 | |
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| 133 | OPTIONS |
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| 134 | Dynamic = false; |
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| 135 | end |
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