source: mso/sample/reactors/fogler/chap3/equilibrium_conversion.mso @ 82

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

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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* Equilibrium conversion
17*----------------------------------------------------------------------
18* Solved problem from Fogler (1999)
19* Problem number: 3-8a and 3-8b
20* Page: 91 (Brazilian edition, 2002)
21*----------------------------------------------------------------------
22*
23*   Description:
24*       Sample to calculate the equilibrium conversion for batch and
25*       continuous systems. Be considered the following reaction of
26*       decomposition:
27*               N2O4 <-> 2NO2
28*
29*   Assumptions:
30*       * steady-state
31*       * isotermic and isobaric system
32*       * gaseous phase
33*
34*       Specify:
35*               * the inlet stream (z,P,T)
36*               * the equilibrium constant
37*
38*   Flowsheets:
39*       * a batch system
40*       * a continuous system
41*
42*----------------------------------------------------------------------
43* Author: Christiano D. Wetzel Guerra and Rodolfo Rodrigues
44* $Id: equilibrium_conversion.mso 82 2006-12-08 20:11:44Z paula $
45*--------------------------------------------------------------------*#
46
47using "types";
48
49
50#*---------------------------------------------------------------------
51* Model of a stream
52*--------------------------------------------------------------------*#
53
54Model stream
55        PARAMETERS
56ext     NComp   as Integer (Brief="Number of chemical components", Lower=1);
57       
58        VARIABLES
59        C(NComp)as conc_mol(Brief="Concentration", Unit="kmol/l", Lower=0);
60        z(NComp)as fraction(Brief="Molar fraction");
61end
62
63
64#*---------------------------------------------------------------------
65* Example 3-8a: In a batch system
66*--------------------------------------------------------------------*#
67
68FlowSheet batch
69        PARAMETERS
70        NComp   as Integer      (Brief="Number of chemical components", Lower=1);
71        R               as Real         (Brief="Universal gas constant", Unit="atm*l/mol/K", Default=0.082);
72        stoic(NComp) as Real(Brief="Stoichiometric coefficients");
73       
74        VARIABLES
75        Inlet   as stream; # Inlet stream
76        Outlet  as stream; # Outlet stream
77        X               as fraction     (Brief="Molar conversion", Lower=0);
78        Kc      as Real         (Brief="Equilibrium constant", Unit="mol/l");
79        C               as conc_mol     (Brief="Total outlet concentration", Unit="mol/l", Lower=0);
80        Co              as conc_mol     (Brief="Total inlet concentration", Unit="mol/l", Lower=0);
81        T               as temperature (Brief="Temperature", Unit="K");
82        P               as pressure     (Brief="Pressure", Unit="atm");
83        Theta(NComp) as Real(Brief="Parameter Theta");
84       
85        EQUATIONS
86        "Inlet molar fraction"
87        Inlet.C = Inlet.z*Co;
88       
89        "Total inlet concentration"
90        Co = P/(R*T);
91       
92        "Outlet molar fraction"
93        Outlet.C = Outlet.z*sum(Outlet.C);
94       
95        "Total outlet concentration"
96        C = sum(Outlet.C);
97       
98        "Outlet concentration"
99        Outlet.C = Inlet.C(1)*(Theta + stoic*X);
100       
101        "Parameter Theta"
102        Theta = Inlet.z/Inlet.z(1);
103       
104        "Equilibrium constant"
105        Kc = Outlet.C(2)^2/Outlet.C(1);
106       
107        SET
108        NComp = 2; # A and B
109        stoic = [-1.0, 2.0]; # A <-> 2B
110       
111        SPECIFY
112        "Inlet molar fraction"
113        Inlet.z = [1.0, 0.0];
114
115        "Inlet pressure"
116        P = 2.0*"atm";
117        "Inlet temperature"
118        T = 340*"K";
119       
120        "Equilibrium constant"
121        Kc = 0.1*"mol/l";
122       
123        OPTIONS
124        mode = "steady";
125end
126
127
128#*---------------------------------------------------------------------
129* Example 3-8b: In a continuous system
130*--------------------------------------------------------------------*#
131
132FlowSheet continuous
133        PARAMETERS
134        NComp   as Integer      (Brief="Number of chemical components", Lower=1);
135        R               as Real         (Brief="Universal gas constant", Unit="atm*l/mol/K", Default=0.082);
136        stoic(NComp) as Real(Brief="Stoichiometric coefficients");
137       
138        VARIABLES
139        Inlet   as stream; # Inlet stream
140        Outlet  as stream; # Outlet stream
141        X               as fraction     (Brief="Molar conversion", Lower=0);
142        Kc      as Real         (Brief="Equilibrium constant", Unit="mol/l");
143        C               as conc_mol     (Brief="Total outlet concentration", Unit="mol/l", Lower=0);
144        Co              as conc_mol     (Brief="Total inlet concentration", Unit="mol/l", Lower=0);
145        T               as temperature (Brief="Temperatura", Unit="K");
146        P               as pressure     (Brief="Pressure", Unit="atm");
147        Theta(NComp) as Real(Brief="Parameter Theta");
148        epsilon as Real         (Brief="Parameter epsilon");
149       
150        EQUATIONS
151        "Inlet molar fraction"
152        Inlet.C = Inlet.z*Co;
153       
154        "Total inlet concentration"
155        Co = P/(R*T);
156       
157        "Outlet molar fraction"
158        Outlet.C = Outlet.z*sum(Outlet.C);
159       
160        "Total outlet concentration"
161        C = sum(Outlet.C);
162       
163        "Outlet concentration"
164        Outlet.C = Inlet.C(1)*(Theta + stoic*X)/(1 + epsilon*X);
165       
166        "Parameter Theta"
167        Theta = Inlet.z/Inlet.z(1);
168       
169        "Parameter epsilon"
170        epsilon = Inlet.z(1)*sum(stoic);
171       
172        "Equilibrium constant"
173        Kc = Outlet.C(2)^2/Outlet.C(1);
174       
175        SET
176        NComp = 2; # A and B
177        stoic = [-1.0, 2.0]; # A <-> 2B
178       
179        SPECIFY
180        "Inlet molar fraction"
181        Inlet.z = [1.0, 0.0];
182
183        "Inlet pressure"
184        P = 2.0*"atm";
185        "Inlet temperature"
186        T = 340*"K";
187       
188        "Equilibrium constant"
189        Kc = 0.1*"mol/l";
190       
191        OPTIONS
192        mode = "steady";
193end
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