source: trunk/sample/optimization/ammonia.mso @ 988

#*-------------------------------------------------------------------
* 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 file showing how to model a ammonia process
*--------------------------------------------------------------------
* 
* This sample file needs VRTherm (www.vrtech.com.br) to run.
*
*----------------------------------------------------------------------
* Author: Rafael P. Soares
*               based on code from VRThech Tecnologias Industriais Ltda.
* $Id: ammonia.mso 983 2016-05-27 00:50:02Z arge $
*--------------------------------------------------------------------*#

using "stage_separators/flash";
using "mixers_splitters/splitter";

# A simple ideal compressor
Model Compressor
        PARAMETERS
outer PP as Plugin(Brief = "External Physical Properties", Type="PP");
outer NComp as Integer;
        
        VARIABLES
in      Inlet as stream;
out     Outlet as streamPH;

        EQUATIONS
        "Isentropic expansion"
        PP.VapourEntropy(Outlet.T, Outlet.P, Outlet.z) = 
                PP.VapourEntropy(Inlet.T, Inlet.P, Inlet.z);
        
        "Global Molar Balance"
        Inlet.F = Outlet.F;
        "Component Molar Balance"
        Inlet.z = Outlet.z;
end

# A simple 2 Inlet mixer.
Model Mixer
        PARAMETERS
outer PP as Plugin(Brief = "External Physical Properties", Type="PP");
outer NComp as Integer;
        
        VARIABLES
in      Inlet1 as stream;
in      Inlet2 as stream;
out     Outlet as streamPH;

        EQUATIONS
        "Energy Balance"
        Outlet.F * Outlet.h = Inlet1.F * Inlet1.h + Inlet2.F * Inlet2.h;
        
        Inlet1.P = Outlet.P;
        
        "Global Molar Balance"
        Inlet1.F + Inlet2.F = Outlet.F;
        "Component Molar Balance"
        Inlet1.z*Inlet1.F + Inlet2.z*Inlet2.F = Outlet.F * Outlet.z;
end

# A simple 'conversion' based reactor.
Model Reactor
        PARAMETERS
outer PP as Plugin(Brief = "External Physical Properties", Type="PP");
outer NComp as Integer;
        NReac as Integer(Default=1);
        stoic(NComp, NReac) as Real (Brief = "Stoichiometric Matrix");
        comp(NReac) as Integer(Default=1, Brief = "Key Component of the reaction");
        
        VARIABLES
in      Inlet as stream;
out     Outlet as streamPH;
        Outletz(NComp) as fraction;
        X(NReac) as fraction(Brief="Convertion of the key component");
        
        EQUATIONS
        "Energy Balance"
        Outlet.F * Outlet.h = Inlet.F * Inlet.h;
        
        "Global Molar Balance"
        Outlet.F = Inlet.F * (1 - sum(Outletz));
        
        for i in [1:NComp] do
                "Component Molar Balance"
                Outletz(i) = Inlet.z(i) + sum(stoic(i,:)*X*Inlet.z(comp));
        end
        
        "Normalize the outlet composition"
        Outlet.z * sum(Outletz) = Outletz;

        Outlet.P = Inlet.P;
end

# Ammonia Process
FlowSheet Ammonia
        PARAMETERS
        PP      as Plugin(Brief="Physical Properties", Type="PP",
                Components = ["hydrogen", "nitrogen", "argon", "methane", "ammonia"],
                LiquidModel = "ASRK",
                VapourModel = "ASRK");
        NComp   as Integer;
        SET
        
        NComp = PP.NumberOfComponents;
        
        DEVICES
        FEED   as source;
        C101   as Compressor;
        R101   as Reactor;
        F101   as flash_steady;
        F102   as flash_steady;
        S101   as splitter2;
        M101   as Mixer;
        M102   as Mixer;
        C102   as Compressor;

        VARIABLES
        purity as fraction(Brief="Purity of the product");
        production as flow_mol(DisplayUnit = 'lbmol/h', Brief="Ammonia in the product");
        loose as flow_mol(DisplayUnit = 'lbmol/h', Brief="Ammonia in the purge");
        Q1 as energy_source;
        Q2 as energy_source;

        CONNECTIONS
        FEED.Outlet    to   M101.Inlet1;
        M101.Outlet    to   C101.Inlet;
        C101.Outlet    to   M102.Inlet1;
        M102.Outlet    to   R101.Inlet;
        R101.Outlet    to   F101.Inlet;
        F101.OutletLiquid   to   F102.Inlet;
        F102.OutletVapour   to   M101.Inlet2;
        F101.OutletVapour   to   S101.Inlet;
        S101.Outlet1   to   C102.Inlet;
        C102.Outlet    to   M102.Inlet2;
        
        Q1.OutletQ      to   F101.InletQ;
        Q2.OutletQ      to   F102.InletQ;       
        
        SET
        R101.comp = 2; # Key component of the reaction
        R101.stoic = [-3, -1, 0, 0, 2]; # Stoichiometry of the reaction

        SPECIFY
        FEED.F = 2000 * 'lbmol/h';
        FEED.T = (27 + 273.15) * 'K';
        FEED.P = 10 * 'atm';
        FEED.Composition = [0.74, 0.24, 0.01, 0.01, 0.0];
        
        C101.Outlet.P = 200 * 'atm';
        C102.Outlet.P = 200 * 'atm';
        
        R101.X = 0.4; # Convertion of the reactor
        
        F101.OutletVapour.P = 199 * 'atm';
        F101.OutletVapour.T = (-34 + 273.15) * 'K';
        
        F102.OutletVapour.P = 10 * 'atm';
        F102.InletQ = 0 * 'kJ/h';
        
        # We can choose between one of the following specs
        S101.FlowRatios(1) = 0.78; # Recycle fraction
        #loose = 1 * 'lbmol/h'; # Ammonia in the purge
        
        EQUATIONS
        production = purity * F102.OutletLiquid.F;
        purity = F102.OutletLiquid.z(5);
        loose  = S101.Outlet2.F * S101.Outlet2.z(5);
        
        OPTIONS
        Dynamic = false;
        NLASolver(
                RelativeAccuracy = 1e-5
        );
end