source: trunk/eml/reactors/stoic.mso @ 746

#*---------------------------------------------------------------------
* 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.
*
*----------------------------------------------------------------------
* Model of a stoichiometric reactor
*----------------------------------------------------------------------
*
*   Description:
*       Modeling of a reactor based on a stoichiometric approach.
*
*   Assumptions:
*               * single- and two-phases involved
*               * steady-state
*
*       Specify:
*               * inlet stream
*               * extent of reactions or
*               * conversion of a key component
*
*----------------------------------------------------------------------
* Author: Rodolfo Rodrigues
* $Id$
*--------------------------------------------------------------------*#

using "tank_basic";


#*---------------------------------------------------------------------
*       only vapour-phase
*--------------------------------------------------------------------*#
Model stoic_vap as tank_vap
        ATTRIBUTES
        Brief   = "Basic model for a vapour-phase stoichiometric CSTR";
        Info    = "
== Assumptions ==
* only vapour-phase
* steady-state
";
        
        PARAMETERS
        NReac           as Integer (Brief="Number of reactions", Default=1);
    stoic(NComp,NReac) as Real (Brief="Stoichiometric matrix", Symbol="\nu");

        VARIABLES
out Outlet              as vapour_stream(Brief="Outlet stream", PosX=1, PosY=1, Symbol="_{out}");

        rate(NComp) as reaction_mol (Brief="Overall component rate of reaction");
        conv(NComp) as Real (Brief="Fractional conversion of component", Symbol="X", Default=0);
        
        EQUATIONS
        "Outlet stream"
        Outlet.F*Outlet.z = Outletm.F*Outletm.z + rate*Tank.V;
        
        "Mechanical equilibrium"
        Outlet.P = Outletm.P;
        
        "Energy balance"
        Outlet.F*Outlet.h = Outletm.F*Outletm.h;
        
        "Steady-state"
        Outlet.F = Outletm.F;
        
        for i in [1:NComp]
          if (Outletm.z(i) > 1e-16) then
            "Molar conversion"
            Outlet.F*Outlet.z(i) = Outletm.F*Outletm.z(i)*(1 - conv(i));
          else if (Outlet.z(i) > 0) then
                        "Molar conversion"
                                conv(i) = 1;    # ?
                        else
                        "Molar conversion"
                                conv(i) = 0;    # ?
                        end
          end
        end
end


#*---------------------------------------------------------------------
*       only liquid-phase
*--------------------------------------------------------------------*#
Model stoic_liq as tank_liq
        ATTRIBUTES
        Brief   = "Basic model for a liquid-phase stoichiometric CSTR";
        Info    = "
== Assumptions ==
* only liquid-phase
* steady-state
";

        PARAMETERS
        NReac           as Integer (Brief="Number of reactions", Default=1);
    stoic(NComp,NReac) as Real (Brief="Stoichiometric matrix", Symbol="\nu");
        
        VARIABLES
out Outlet              as liquid_stream(Brief="Outlet stream", PosX=1, PosY=1, Symbol="_{out}");

        rate(NComp) as reaction_mol (Brief="Overall component rate of reaction");
        conv(NComp)     as Real (Brief="Fractional conversion of component", Symbol="X", Default=0);
        
        EQUATIONS
        "Outlet stream"
        Outlet.F*Outlet.z = Outletm.F*Outletm.z + rate*Tank.V;
        
        "Mechanical equilibrium"
        Outlet.P = Outletm.P;
        
        "Energy balance"
        Outlet.F*Outlet.h = Outletm.F*Outletm.h;
        
        "Steady-state"
        Outlet.F = Outletm.F;

        for i in [1:NComp]
          if (Outletm.z(i) > 1e-16) then
            "Molar conversion"
            Outlet.F*Outlet.z(i) = Outletm.F*Outletm.z(i)*(1 - conv(i));
          else if (Outlet.z(i) > 0) then
                        "Molar conversion"
                                conv(i) = 1;    # ?
                        else
                        "Molar conversion"
                                conv(i) = 0;    # ?
                        end
          end
        end
end


#*---------------------------------------------------------------------
*       1. extent of reactions are known
*--------------------------------------------------------------------*#
Model stoic_extent_vap as stoic_vap
        ATTRIBUTES
        Pallete = true;
        Icon    = "icon/cstr"; 
        Brief   = "Model of a generic vapour-phase stoichiometric CSTR based on extent of reaction";
        Info    = "
== Specify ==
* inlet stream
* extent of reactions
";

        VARIABLES
        extent(NReac)   as flow_mol (Brief="Extent of reaction", Symbol="\xi");
        
        EQUATIONS
        "Rate of reaction"
        rate*Tank.V = sumt(stoic*extent);
end

Model stoic_extent_liq as stoic_liq
        ATTRIBUTES
        Pallete = true;
        Icon    = "icon/cstr"; 
        Brief   = "Model of a generic liquid-phase stoichiometric CSTR based on extent of reaction";
        Info    = "
== Specify ==
* inlet stream
* extent of reactions
";

        VARIABLES
        extent(NReac)   as flow_mol (Brief="Extent of reaction", Symbol="\xi");
        
        EQUATIONS
        "Rate of reaction"
        rate*Tank.V = sumt(stoic*extent);
end


#*---------------------------------------------------------------------
*       2. conversion of a key component is known
*--------------------------------------------------------------------*#
Model stoic_conv_vap as stoic_vap
        ATTRIBUTES
        Pallete = true;
        Icon    = "icon/cstr"; 
        Brief   = "Model of a generic vapour-phase stoichiometric CSTR based on conversion of a key component";
        Info    = "
== Specify ==
* inlet stream
* conversion of a key component
";

        PARAMETERS
        KComp as Integer(Brief="Key component", Lower=1, Default=1);

        VARIABLES
        kconv as Real   (Brief="Molar conversion of key component", Symbol="X_k");

        EQUATIONS
        "Reaction rate"
        rate*Tank.V = sumt(stoic)/abs(sumt(stoic(KComp,:)))*Outletm.F*Outletm.z(KComp)*kconv;
end

Model stoic_conv_liq as stoic_liq
        ATTRIBUTES
        Pallete = true;
        Icon    = "icon/cstr"; 
        Brief   = "Model of a generic liquid-phase stoichiometric CSTR based on conversion of a key component";
        Info    = "
== Specify ==
* inlet stream
* conversion of a key component
";

        PARAMETERS
        KComp as Integer(Brief="Key component", Lower=1, Default=1);

        VARIABLES
        kconv as Real   (Brief="Molar conversion of key component", Symbol="X_k");

        EQUATIONS
        "Reaction rate"
        rate*Tank.V = sumt(stoic)/abs(sumt(stoic(KComp,:)))*Outletm.F*Outletm.z(KComp)*kconv;
end