source: trunk/sample/reactors/sample_gibbs.mso @ 847

#*---------------------------------------------------------------------
* 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.
*
*----------------------------------------------------------------------
* Sample of a Gibbs reactor
*----------------------------------------------------------------------
*
* This sample file needs VRTherm (www.vrtech.com.br) to run.
*
*----------------------------------------------------------------------
*
*       This is a sample based on a problem of the book "Introduction to
* Chemical Engineering Thermodynamics" by Smith, Van Ness and Abbott,
* 5th ed., 1996.
*
*----------------------------------------------------------------------
* Author: Rodolfo Rodrigues
* $Id$
*--------------------------------------------------------------------*#

using "reactors/gibbs";


#*---------------------------------------------------------------------
* Problem 15.13 - p.543 (Brazilian edition)
*
* System in gasosous fase contents CH4, H2O, CO, CO2, and H2
*
* Initial conditions
*   1bar, 1000K, 2mol of CH4 and 3mol of H2O
*
* Specify
*       Outlet.T
*       Outlet.P
*
* Return
*       Outlet.z
---------------------------------------------------------------------*#

FlowSheet sample_gibbs_vap
        PARAMETERS
        PP              as Plugin(Brief="External physical properties", Type="PP",
                        Components = ["methane","water","carbon monoxide","carbon dioxide","hydrogen"],
                        LiquidModel = "IdealLiquid",
                        VapourModel = "Ideal");
        NComp   as Integer;
        NElem   as Integer;
        
        DEVICES
        Fin     as source;
        R               as gibbs_vap; # gibbs reactor

        CONNECTIONS
        Fin.Outlet      to R.Inlet;
        
        SET
        NComp = PP.NumberOfComponents; # CH4, H2O, CO, CO2, H2
        NElem = 3; # C, O, H
        
        R.na(:,1) = [1.0, 0.0, 4.0]; # CH4
        R.na(:,2) = [0.0, 1.0, 2.0]; # H2O
        R.na(:,3) = [1.0, 1.0, 0.0]; # CO
        R.na(:,4) = [1.0, 2.0, 0.0]; # CO2
        R.na(:,5) = [0.0, 0.0, 2.0]; # H2

        SPECIFY
        Fin.F = 5*'kmol/h';
        Fin.Composition = [0.4, 0.6, 0.0, 0.0, 0.0];
        Fin.P = 1*'atm';
        Fin.T = 1000*'K';
        
        R.Outlet.F = 5*'kmol/h'*sqrt(R.Tank.Level/'m');
        R.Outlet.P = 1*'atm';
        R.Outlet.T = Fin.Outlet.T;

        R.Tank.Across = 5*'m^2';
        R.Tank.L = 1.5*'m';
        
        INITIAL
        R.Outletm.T = 1000*'K';
        R.M = [2, 3, 0, 0, 0]*'kmol';
        
        OPTIONS
        Dynamic = false;
        NLASolver(File="sundials",
                          RelativeAccuracy=1e-6,
                          AbsoluteAccuracy=1e-8);
end