source: mso/sample/reactors/fogler/chap3/oxidation_of_so2.mso @ 62

Last change on this file since 62 was 62, checked in by Rodolfo Rodrigues, 16 years ago

Updated

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1#*---------------------------------------------------------------------
2* Expressing Cj=hj(X)
3*----------------------------------------------------------------------
4* Solved problem from Fogler (1999)
5* Problem number: 3-7
6* Page: 87 (Brazilian edition, 2002)
7*----------------------------------------------------------------------
8*
9*   Description:
10*               Expressing of the molar concentration as function of molar
11*       conversion for a continuous reactor which occurs the oxidation
12*       reaction:
13*               2SO2 + O2 -> 2SO3
14*       
15*   Assumptions:
16*       * steady-state
17*       * isotermic and isobaric system
18*       * gaseous phase
19*
20*       Specify:
21*               * the inlet stream (z,P,T)
22*               * the parameters of reaction
23*               * the outlet conversion
24*
25*----------------------------------------------------------------------
26* Author: Christiano D. W. Guerra and Rodolfo Rodrigues
27* GIMSCOP/UFRGS - Group of Integration, Modeling, Simulation, Control,
28*                                       and Optimization of Processes
29* $Id$
30*--------------------------------------------------------------------*#
31
32using "types";
33
34
35#*---------------------------------------------------------------------
36* Model of a stream
37*--------------------------------------------------------------------*#
38
39Model stream
40        PARAMETERS
41ext     NComp   as Integer (Brief="Number of chemical components", Lower=1);
42       
43        VARIABLES
44        C(NComp)as conc_mol(Brief="Concentration", Unit="mol/l", Lower=0);
45        z(NComp)as fraction(Brief="Molar fraction");
46end
47
48
49#*---------------------------------------------------------------------
50* Example 3-7: Cj=hj(X)
51*--------------------------------------------------------------------*#
52
53FlowSheet pfr
54        PARAMETERS
55        NComp   as Integer;
56        stoic(NComp) as Real(Brief="Stoichiometric coefficients");
57        k       as Real (Brief="Specific rate of reaction", Unit="l/mol/s");
58        R               as Real (Brief="Universal gas constant", Unit="atm*l/mol/K", Default=0.082);
59       
60        VARIABLES
61        Inlet   as stream; # Inlet stream
62        Outlet  as stream; # Outlet stream     
63        X               as fraction     (Brief="Molar conversion", Lower=0);
64        r               as reaction_mol (Brief="Rate of reaction of A", Unit="mol/l/s");
65        T               as temperature  (Brief="Temperature", Unit="K");
66        P               as pressure     (Brief="Pressure", Unit="atm");
67        Theta(NComp)as Real     (Brief="Parameter Theta");
68        epsilon as Real         (Brief="Parameter epsilon");
69       
70        EQUATIONS
71        "Change time in X"
72        X = time*"1/s";
73       
74        "Outlet molar fraction"
75        Outlet.C = Outlet.z*sum(Outlet.C);
76
77        "Inlet concentration"
78        Inlet.C = Inlet.z*P/(R*T);
79       
80        "Outlet concentration"
81        Outlet.C = Inlet.C(1)*(Theta + stoic*X)/(1 + epsilon*X);
82       
83        "Parameter Theta"
84        Theta = Inlet.z/Inlet.z(1);
85       
86        "Parameter epsilon"
87        epsilon = Inlet.z(1)*sum(stoic);
88
89        "Rate of reaction"
90        (-r) = k*Outlet.C(1)*Outlet.C(2);
91       
92        SET
93        NComp = 4; # A, B, C and I
94        stoic = [-1.0, -0.5, 1.0, 0.0];
95        k = 200*"l/mol/s";
96       
97        SPECIFY
98        "Inlet molar fraction"
99        Inlet.z = [0.28, 0.1512, 0.0, 0.5688];
100        "Inlet pressure"
101        P = 1485*"kPa";
102        "Inlet temperature"
103        T = (227 + 273.15)*"K";
104       
105        OPTIONS
106        time = [0:0.005:0.995];
107end
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