source: branches/new_gui/my_folders/fogler/chap8/series_reactions.mso @ 896

Last change on this file since 896 was 896, checked in by gerson bicca, 13 years ago

added special folder for unconventional applications

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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* Multiple reactions in a CSTR
17*----------------------------------------------------------------------
18* Solved problem from Fogler (1999)
19* Problem number: 8-12
20* Page: 460 (Brazilian version)
21*----------------------------------------------------------------------
22*
23*   Description:
24*               There are these reactions in series:
25*                       A -> B -> C
26*               This sample calculates the outlet molar concentration as
27*       function of the time in a CSTR. It is possible to identify the MSS
28*       (Multiple Steady-State).
29*
30*   Assumptions
31*               * elementary reactions
32*               * steady-state
33*       * isobaric system
34*       * gaseous phase
35*
36*       Specify:
37*               * the inlet stream
38*               * the kinetic parameters
39*               * the parameters of components
40*
41*----------------------------------------------------------------------
42* Author: Christiano D. W. Guerra and Rodolfo Rodrigues
43* $Id: series_reactions.mso 574 2008-07-25 14:18:50Z rafael $
44*--------------------------------------------------------------------*#
45
46using "types";
47
48
49FlowSheet multiple_reactions
50        PARAMETERS
51        NComp           as Integer              (Brief="Number of components", Lower=1);
52        NReac           as Integer              (Brief="Number of reactions");
53        stoic(NComp,NReac)as Real       (Brief="Stoichiometric coefficients");
54       
55        DH(NReac)       as enth_mol     (Brief="Enthapy of formation in reaction");
56        vo              as flow_vol     (Brief="Volumetric flow");
57        Cp              as cp_mol               (Brief="Heat capacity");
58        UA              as Real                 (Brief="Heat change", Unit='J/min/K');
59        tau             as time_min     (Brief="Residence time");
60       
61        Ta              as temperature  (Brief="Surface temperature");
62        Tr_ko(NReac)as temperature      (Brief="Reference temperature for ko");
63       
64        ko(NReac)       as Real                 (Brief="Frequency factor", Unit='1/min');
65        E(NReac)        as energy_mol   (Brief="Activation energy");
66        R                       as Real                 (Brief="Universal gas constant", Unit='cal/mol/K', Default=1.987);
67       
68        VARIABLES
69        C(NComp)    as conc_mol         (Brief="Molar concentration", Lower=-1e-6);
70        Generated       as energy_mol   (Brief="Generated heat");
71        Removed         as energy_mol   (Brief="Removed heat");
72        T               as temperature  (Brief="Temperature of the Reactor");
73        kappa           as Real                 (Brief="Kappa parameter");
74        Tc              as temperature  (Brief="Temperature of reactor surface");
75        k(NReac)        as Real                 (Brief="Specific rate of reaction", Unit='1/min');
76        Co              as conc_mol     (Brief="Initial concentration of A");
77        To              as temperature  (Brief="Initial temperature");
78       
79        EQUATIONS
80        "Temperature profile"
81        diff(T) = 2*'K/min';
82       
83        "Parameter kappa"
84        kappa = UA/(vo*Co)/Cp;
85       
86        "Specific rate of reaction"
87        k = ko*exp(E/R*(1/Tr_ko - 1/T));
88       
89        "Molar concentration of A"
90        C(1) = Co/(1+tau*k(1));
91       
92        "Generated term"
93        Generated = (-DH(1))*k(1)*tau/(1 + k(1)*tau) +
94                (-DH(2))*k(1)*k(2)*tau^2/(1 + tau*k(1))/(1 + tau*k(2));
95       
96        "Temperature of reactor surface"
97        Tc = (To + kappa * Ta)/(1 + kappa);
98       
99        "Molar concentration of B"
100        C(2) = tau*k(1)*C(1)/(1 + tau*k(2));
101       
102        "Molar concentration of C"
103        Co = sum(C);
104       
105        "Removed term"
106        Removed  = Cp*(1 + kappa)*(T - Tc);
107
108        SET
109        NComp = 3; # A, B, and C
110        NReac = 2; # A->B->C
111       
112        DH      = [-5.50e4, -7.15e4]*'J/mol';
113        vo      = 1000*'m^3/min';
114       
115        ko      = [ 3.30,  4.58]/'min';
116        E       = [9.9e3, 2.7e4]*'cal/mol';
117        Tr_ko = [300, 500]*'K';
118       
119        Cp      = 200*'J/mol/K';
120        UA      = 4e4*'J/min/K';
121        tau     = 0.01*'min';
122        Ta      = 330*'K';
123       
124        SPECIFY
125        To = 283*'K';
126        Co= 0.3*'mol/m^3';
127
128        INITIAL
129        "Temperature"
130        T = 283*'K';
131
132        OPTIONS
133        TimeStep = 2;
134        TimeEnd = 225;
135        TimeUnit = 'min';
136end
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