source: branches/newlanguage/sample/reactors/sample_batch.mso @ 137

Last change on this file since 137 was 82, checked in by Paula Bettio Staudt, 16 years ago

Updated reactors sample files header

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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 a isotermic batch reactor (model batch_isotermic).
17*----------------------------------------------------------------------
18* Author: Paula Bettio Staudt
19*         Rafael de Pelegrini Soares
20* $Id: sample_batch.mso 82 2006-12-08 20:11:44Z paula $
21*-------------------------------------------------------------------*#
22
23using "reactors/batch";
24 
25FlowSheet SampleBatch
26        PARAMETERS
27        NComp as Integer(Brief="Number of components");
28
29        DEVICES
30        feed as stream;
31        reac as batch_isotermic;
32       
33        CONNECTIONS
34        feed to reac.Inlet;
35       
36        PARAMETERS
37        k1 as Real(Unit="(l/mol)^3.5/min", Default=18.7);
38        k2 as Real(Unit="l/mol/min", Default=0.58);
39        k3 as Real(Unit="(l/mol)^2/min", Default=0.09);
40        k4 as Real(Unit="(l/mol)^1.5/min", Default=0.42);
41        Ks as inv_conc_mol(Default=115.83);
42        K  as Real(Default=34.4);
43        kla as flow_vol(Default=3.3);
44        H as inv_conc_mol(Default=737);
45        pCO2;
46       
47        VARIABLES
48        C6 as conc_mol(Brief="Special component concentration");
49
50        SET
51        NComp = 5;
52        reac.NReac = 5;
53        pCO2 = 0.9;
54       
55        reac.stoic(1,:) = [-2,   1,  -1, -1,  0  ];
56        reac.stoic(2,:) = [-0.5, 0,  0,  -1, -0.5];
57        reac.stoic(3,:) = [1,   -1,  1,   0,   0 ];
58        reac.stoic(4,:) = [0,   -1,  1,  -2,   0 ];
59        reac.stoic(5,:) = [0,    1, -1,   0,   1 ];
60
61        EQUATIONS
62        "Inlet Flow"
63        feed.F = kla*(pCO2/H-reac.C(2));
64       
65        "Reaction rates"
66        reac.r(1)=k1   * reac.C(1)^4 * sqrt(reac.C(2));
67        reac.r(2)=k2   * reac.C(3)   * reac.C(4);
68        reac.r(3)=k2/K * reac.C(1)   * reac.C(5);
69        reac.r(4)=k3   * reac.C(1)   * reac.C(4)^2;
70        reac.r(5)=k4   * C6^2   * sqrt(reac.C(2));
71       
72        "C6 Equilibrium"
73        C6  = Ks * reac.C(1) * reac.C(4);
74       
75        SPECIFY
76        "Feed conditions"
77        feed.T = 300*"K";
78        feed.P = 1*"atm";
79        feed.h = 0*"J/mol";
80        feed.v = 0;
81        feed.z = [0,1,0,0,0];
82
83        "Reactor volume"
84        reac.Vr = 1 * "l";
85       
86        INITIAL
87        "Initial concentration"
88        reac.C=[0.444, 0.00122, 0, 0.007, 0] * "mol/l";
89
90        OPTIONS
91        time = [0:100:180*60];
92end
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