source: branches/newlanguage/sample/reactors/fogler/chap3/oxidation_of_so2.mso @ 188

#*-------------------------------------------------------------------
* EMSO Model Library (EML) Copyright (C) 2004 - 2007 ALSOC.
*
* This LIBRARY is free software; you can distribute it and/or modify
* it under the therms of the ALSOC FREE LICENSE as available at
* http://www.enq.ufrgs.br/alsoc.
*
* EMSO Copyright (C) 2004 - 2007 ALSOC, original code
* from http://www.rps.eng.br Copyright (C) 2002-2004.
* All rights reserved.
*
* EMSO is distributed under the therms of the ALSOC LICENSE as
* available at http://www.enq.ufrgs.br/alsoc.
*
*---------------------------------------------------------------------
* Expressing Cj=hj(X)
*----------------------------------------------------------------------
* Solved problem from Fogler (1999)
* Problem number: 3-7
* Page: 87 (Brazilian edition, 2002)
*----------------------------------------------------------------------
*
*   Description:
*               Expressing of the molar concentration as function of molar 
*       conversion for a continuous reactor which occurs the oxidation 
*       reaction:
*               2SO2 + O2 -> 2SO3
*       
*   Assumptions:
*       * steady-state
*       * isotermic and isobaric system
*       * gaseous phase
*
*       Specify:
*               * the inlet stream (z,P,T)
*               * the parameters of reaction
*               * the outlet conversion
*
*----------------------------------------------------------------------
* Author: Christiano D. W. Guerra and Rodolfo Rodrigues
* $Id: oxidation_of_so2.mso 188 2007-03-07 16:53:12Z rodolfo $
*--------------------------------------------------------------------*#

using "types";


#*---------------------------------------------------------------------
* Model of a stream
*--------------------------------------------------------------------*#

Model stream
        PARAMETERS
outer NComp     as Integer (Brief="Number of chemical components", Lower=1);
        
        VARIABLES
        C(NComp)as conc_mol(Brief="Concentration", DisplayUnit='mol/l', Lower=0);
        z(NComp)as fraction(Brief="Molar fraction");
end


#*---------------------------------------------------------------------
* Example 3-7: Cj=hj(X)
*--------------------------------------------------------------------*#

FlowSheet pfr
        PARAMETERS
        NComp   as Integer;
        stoic(NComp) as Real(Brief="Stoichiometric coefficients");
        k       as Real (Brief="Specific rate of reaction", Unit='l/mol/s');
        R               as Real (Brief="Universal gas constant", Unit='atm*l/mol/K', Default=0.082);
        
        VARIABLES
        Inlet   as stream; # Inlet stream
        Outlet  as stream; # Outlet stream      
        X               as fraction     (Brief="Molar conversion", Lower=0);
        r               as reaction_mol (Brief="Rate of reaction of A", DisplayUnit='mol/l/s');
        T               as temperature  (Brief="Temperature");
        P               as pressure     (Brief="Pressure");
        Theta(NComp)as Real     (Brief="Parameter Theta");
        epsilon as Real         (Brief="Parameter epsilon");
        
        EQUATIONS
        "Change time in X"
        X = time*'1/s';
        
        "Outlet molar fraction"
        Outlet.C = Outlet.z*sum(Outlet.C);

        "Inlet concentration"
        Inlet.C = Inlet.z*P/(R*T);
        
        "Outlet concentration"
        Outlet.C = Inlet.C(1)*(Theta + stoic*X)/(1 + epsilon*X);
        
        "Parameter Theta"
        Theta = Inlet.z/Inlet.z(1);
        
        "Parameter epsilon"
        epsilon = Inlet.z(1)*sum(stoic);

        "Rate of reaction"
        (-r) = k*Outlet.C(1)*Outlet.C(2);
        
        SET
        NComp = 4; # A, B, C and I
        stoic = [-1.0, -0.5, 1.0, 0.0];
        k = 200*'l/mol/s';
        
        SPECIFY
        "Inlet molar fraction"
        Inlet.z = [0.28, 0.1512, 0.0, 0.5688];
        "Inlet pressure"
        P = 1485*'kPa';
        "Inlet temperature"
        T = (227 + 273.15)*'K';
        
        OPTIONS
        TimeStep = 0.005;
        TimeEnd = 0.995;
end