source: branches/gui/sample/case_study/Dyn_CS_BatchReactor.mso @ 804

Last change on this file since 804 was 804, checked in by edsoncv, 13 years ago

Added Case study (dynamic and Steady State case) examples.
Added Sensitivity (only Steady State).

File size: 1.9 KB
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[804]1
2using "types";
3
4#*
5* Batch Reactor model based on gPROMS sample
6*#
7Model BatchReactor
8        PARAMETERS
9        Density(4) as dens_mol(Brief="Component Densities");
10        Ac(4) as Real(Brief="Specific enthalpy coeficient A", Unit='J/mol/K');
11        Bc(4) as Real(Brief="Specific enthalpy coeficient B", Unit='J/mol/K/K');
12       
13        k0 as Real(Brief="Arrenius constant", Unit='m^3/s/mol');
14        Ea as Real(Brief="Activation energy", Unit='J/mol');
15        Hr as Real(Brief="Reaction enthalpy", Unit='J/mol');
16       
17        Nu(4) as Real(Brief="Stoichiometric coefficients");
18        R as Real(Brief="Ideal gas constant", Default=8.314, Unit='J/K/mol');
19        Tref as temperature(Brief="Reference temperature", Default=298);
20
21        VARIABLES
22        Holdup(4) as mol;
23        C(4) as conc_mol;
24        TotalVolume as volume;
25        ReactionRate as Real(Unit='mol/m^3/s');
26        ReactionConstant as Real(Unit='m^3/s/mol');
27        TotalH as energy;
28        H(4) as energy_mol;
29        T as temperature;
30        Q as power;
31
32        EQUATIONS
33        "Mass balance"
34        diff(Holdup) = Nu*ReactionRate*TotalVolume;
35
36        "Energy balance"
37        diff(TotalH) = ReactionRate*TotalVolume*(-Hr) + Q;
38
39        "Reaction rate"
40        ReactionRate = ReactionConstant*C(1)*C(2);
41       
42        "Reaction constant"
43        ReactionConstant = k0 * exp(-Ea/(R*T));
44
45        "Concentrations"
46        Holdup = C * TotalVolume ;
47        TotalVolume = sum(Holdup/Density) ;
48        "Reactor energy content"
49        TotalH = sum(Holdup*H) ;
50        H = Ac * ( T - Tref ) + Bc * ( T^2 - Tref^2 ) / 2 ;
51end
52
53FlowSheet BatchProcess as BatchReactor
54        SET
55        Density = [ 10.0E3, 8.0E3, 11.0E3, 11.0E3 ] * 'mol/m^3' ;
56        Ac = [ 150.0, 175.0, 200.0, 175.0 ] * 'J/mol/K';
57        Bc = [ 0.0, 0.0, 0.0, 0.0 ] * 'J/mol/K/K' ;
58        Nu = [ -1, -1, +1, +1 ] ;
59       
60        k0 = 5E-4 * 'm^3/s/mol';
61        Ea = 15000.0 * 'J/mol';
62        Hr = 55000.0 * 'J/mol';
63       
64        SPECIFY
65        Q = 505e3 * 'W';
66       
67        INITIAL
68    Holdup = [100.0, 100.0, 1.0, 1.0 ] * 'mol';
69    T = 293.0 * 'K';
70       
71end
72
73CaseStudy CS_Batch as BatchProcess
74
75        VARY
76
77        Q = [505e3: 100: 506e3] * 'W';
78
79        RESPONSE
80
81        T;
82
83end
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