source: trunk/eml/reactors/stoic.mso @ 417

Last change on this file since 417 was 417, checked in by Rodolfo Rodrigues, 16 years ago

Added stoic and yield reactor.
File size: 5.5 KB
RevLine 
[417]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* Model of a stoichiometric reactor
17*----------------------------------------------------------------------
18*
19*   Description:
20*       Modeling of a reactor based on a stoichiometric approach.
21*
22*   Assumptions:
23*               * steady-state
24*
25*       Specify:
26*               * inlet stream
27*               * extent of reactions or
28*               * conversion of a key component
29*
30*----------------------------------------------------------------------
31* Author: Rodolfo Rodrigues
32* $Id$
33*--------------------------------------------------------------------*#
34
35using "tank_basic";
36
37
38#*---------------------------------------------------------------------
39*       only vapour-phase
40*--------------------------------------------------------------------*#
41Model stoic_vap as tank_vap
42        PARAMETERS
43        NReac           as Integer (Brief="Number of reactions", Default=1);
44    stoic(NComp,NReac) as Real (Brief="Stoichiometric matrix");
45
46        VARIABLES
47out Outlet              as vapour_stream; # Outlet stream
48
49        rate(NComp) as reaction_mol (Brief="Overall component rate of reaction");
50        conv(NComp) as Real (Brief="Fractional conversion of component", Default=0);
51       
52        EQUATIONS
53        "Outlet stream"
54        Outlet.F*Outlet.z = Outletm.F*Outletm.z + rate*V;
55       
56        "Mechanical equilibrium"
57        Outlet.P = Outletm.P;
58       
59        "Energy balance"
60        Outlet.F*Outlet.h = Outletm.F*Outletm.h;
61       
62        "Steady-state"
63        Outlet.F = Outletm.F;
64       
65        for i in [1:NComp]
66          if (Outletm.z(i) > 0) then
67            "Molar conversion"
68            Outlet.F*Outlet.z(i) = Outletm.F*Outletm.z(i)*(1 - conv(i));
69          else if (Outlet.z(i) > 0) then
70                        "Molar conversion"
71                                conv(i) = 1;    # ?
72                        else
73                        "Molar conversion"
74                                conv(i) = 0;    # ?
75                        end
76          end
77        end
78end
79
80
81#*---------------------------------------------------------------------
82*       only liquid-phase
83*--------------------------------------------------------------------*#
84Model stoic_liq as tank_liq
85        PARAMETERS
86        NReac           as Integer (Brief="Number of reactions", Default=1);
87    stoic(NComp,NReac) as Real (Brief="Stoichiometric matrix");
88       
89        VARIABLES
90out Outlet              as liquid_stream; # Outlet stream
91
92        rate(NComp) as reaction_mol (Brief="Overall component rate of reaction");
93        conv(NComp)     as Real (Brief="Fractional conversion of component", Default=0);
94       
95        EQUATIONS
96        "Outlet stream"
97        Outlet.F*Outlet.z = Outletm.F*Outletm.z + rate*V;
98       
99        "Mechanical equilibrium"
100        Outlet.P = Outletm.P;
101       
102        "Energy balance"
103        Outlet.F*Outlet.h = Outletm.F*Outletm.h;
104       
105        "Steady-state"
106        Outlet.F = Outletm.F;
107
108        for i in [1:NComp]
109          if (Outletm.z(i) > 0) then
110            "Molar conversion"
111            Outlet.F*Outlet.z(i) = Outletm.F*Outletm.z(i)*(1 - conv(i));
112          else if (Outlet.z(i) > 0) then
113                        "Molar conversion"
114                                conv(i) = 1;    # ?
115                        else
116                        "Molar conversion"
117                                conv(i) = 0;    # ?
118                        end
119          end
120        end
121end
122
123
124#*---------------------------------------------------------------------
125*       1. extent of reactions are known
126*--------------------------------------------------------------------*#
127Model stoic_extent_vap as stoic_vap
128        ATTRIBUTES
129        Pallete = true;
130        Icon    = "icon/cstr";
131        Brief   = "Model of a generic vapour-phase stoichiometric CSTR based on extent of reaction";
132        Info    = "
133Requires the information of:
134* extent of reactions
135";
136
137        VARIABLES
138        extent(NReac)   as flow_mol (Brief="Extent of reaction");
139       
140        EQUATIONS
141        "Rate of reaction"
142        rate*V = sumt(stoic*extent);
143end
144
145Model stoic_extent_liq as stoic_liq
146        ATTRIBUTES
147        Pallete = true;
148        Icon    = "icon/cstr";
149        Brief   = "Model of a generic liquid-phase stoichiometric CSTR based on extent of reaction";
150        Info    = "
151Requires the information of:
152* extent of reactions
153";
154
155        VARIABLES
156        extent(NReac)   as flow_mol (Brief="Extent of reaction");
157       
158        EQUATIONS
159        "Rate of reaction"
160        rate*V = sumt(stoic*extent);
161end
162
163
164#*---------------------------------------------------------------------
165*       2. conversion of a key component is known
166*--------------------------------------------------------------------*#
167Model stoic_conv_vap as stoic_vap
168        ATTRIBUTES
169        Pallete = true;
170        Icon    = "icon/cstr";
171        Brief   = "Model of a generic vapour-phase stoichiometric CSTR based on conversion of a key component";
172        Info    = "
173Requires the information of:
174* conversion of a key component
175";
176
177        PARAMETERS
178        KComp as Integer(Brief="Key component", Lower=1, Default=1);
179
180        VARIABLES
181        kconv as Real   (Brief="Molar conversion of key component");
182
183        EQUATIONS
184        "Reaction rate"
185        rate*V = sumt(stoic)/sumt(stoic(KComp,:))*Outletm.F*Outletm.z(KComp)*kconv;
186end
187
188Model stoic_conv_liq as stoic_liq
189        ATTRIBUTES
190        Pallete = true;
191        Icon    = "icon/cstr";
192        Brief   = "Model of a generic liquid-phase stoichiometric CSTR based on conversion of a key component";
193        Info    = "
194Requires the information of:
195* conversion of a key component
196";
197
198        PARAMETERS
199        KComp as Integer(Brief="Key component", Lower=1, Default=1);
200
201        VARIABLES
202        kconv as Real   (Brief="Molar conversion of key component");
203
204        EQUATIONS
205        "Reaction rate"
206        rate*V = sumt(stoic)/sumt(stoic(KComp,:))*Outletm.F*Outletm.z(KComp)*kconv;
207end
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