| 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 | * 4. Reaction Equilibrium for Multiple Gas Phase Reactions |
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| 17 | *---------------------------------------------------------------------- |
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| 18 | * |
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| 19 | * Description: |
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| 20 | * This problem is part of a collection of 10 representative |
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| 21 | * problems in Chemical Engineering for solution by numerical methods |
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| 22 | * developed for Cutlip (1998). |
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| 23 | * |
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| 24 | * Subject: |
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| 25 | * * Thermodynamics |
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| 26 | * |
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| 27 | * Numerical method: |
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| 28 | * * Simultaneous nonlinear equations |
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| 29 | * |
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| 30 | * Reference: |
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| 31 | * * CUTLIP et al. A collection of 10 numerical problems in |
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| 32 | * chemical engineering solved by various mathematical software |
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| 33 | * packages. Comp. Appl. in Eng. Education. v. 6, 169-180, 1998. |
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| 34 | * * http://www.polymath-software.com/ASEE |
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| 35 | * |
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| 36 | *---------------------------------------------------------------------- |
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| 37 | * Author: Rodolfo Rodrigues |
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| 38 | * $Id$ |
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| 39 | *--------------------------------------------------------------------*# |
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| 40 | |
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| 41 | |
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| 42 | |
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| 43 | Model problem |
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| 44 | PARAMETERS |
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| 45 | NComp as Integer (Brief="Number of components", Lower=1); |
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| 46 | NReac as Integer (Brief="Number of reactions", Default=1); |
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| 47 | |
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| 48 | VARIABLES |
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| 49 | K(NReac) as Real (Brief="Equillibrium constant"); |
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| 50 | Co(NComp) as Real (Brief="Initial concentration", Lower=-0.001); |
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| 51 | C(NComp) as Real (Brief="Concentration", Lower=-0.001); |
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| 52 | |
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| 53 | SET |
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| 54 | NComp = 7; # A,B,C,D,X,Y,Z |
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| 55 | NReac = 3; |
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| 56 | |
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| 57 | EQUATIONS |
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| 58 | K(1)*(C(1)*C(2)) = C(3)*C(4); |
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| 59 | K(2)*(C(2)*C(3)) = C(5)*C(6); |
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| 60 | K(3)*(C(1)*C(5)) = C(7); |
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| 61 | |
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| 62 | C(1) - Co(1) = -C(4) - C(7); |
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| 63 | C(2) - Co(2) = -C(4) - C(6); |
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| 64 | C(3) = C(4) - C(6); |
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| 65 | C(6) = C(5) + C(7); |
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| 66 | end |
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| 67 | |
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| 68 | |
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| 69 | FlowSheet solution |
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| 70 | DEVICES |
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| 71 | reac as problem; |
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| 72 | |
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| 73 | SPECIFY |
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| 74 | reac.Co = [1.5, 1.5, 0, 0, 0, 0, 0]; |
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| 75 | reac.K = [1.06, 2.63, 5]; |
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| 76 | |
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| 77 | GUESS |
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| 78 | reac.C(4) = reac.C(5); |
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| 79 | reac.C(5) = reac.C(7); |
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| 80 | |
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| 81 | reac.C(4) = 0; # (a) |
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| 82 | # reac.C(4) = 1; # (b) |
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| 83 | # reac.C(4) = 10; # (c) |
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| 84 | |
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| 85 | OPTIONS |
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| 86 | Dynamic = false; |
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| 87 | end |
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