#*-------------------------------------------------------------------
* 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 85 2006-12-08 20:43:24Z paula $
*--------------------------------------------------------------------*#

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

# A simple ideal compressor
Model Compressor
	PARAMETERS
ext PP as CalcObject;
ext NComp as Integer;
	
	VARIABLES
in	Inlet as stream;
out	Outlet as stream_therm;

	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;
	
	"vaporization fraction "
	Outlet.v = 1.0;
end

# A simple 2 Inlet mixer.
Model Mixer
	PARAMETERS
ext PP as CalcObject;
ext NComp as Integer;
	
	VARIABLES
in	Inlet1 as stream;
in	Inlet2 as stream;
out	Outlet as stream_therm;

	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;
	"vaporization fraction"
	Outlet.v = Inlet1.v;
end

# A simple 'conversion' based reactor.
Model Reactor
	PARAMETERS
ext PP as CalcObject;
ext 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 stream_therm;
	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]
		"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;
	
	"vaporization fraction"
	Outlet.v = Inlet.v;
end

# Ammonia Process
FlowSheet Ammonia
	PARAMETERS
	PP	as CalcObject(Brief="Physical Properties", File="vrpp");
	NComp	as Integer;
	SET
	PP.Components = ["hydrogen", "nitrogen", "argon", "methane", "ammonia"];
	PP.LiquidModel = "APR";
	PP.VapourModel = "APR";
	NComp = PP.NumberOfComponents;
	
	DEVICES
	FEED   as streamTP;
	C101   as Compressor;
	R101   as Reactor;
	F101   as flash_Steady;
	F102   as flash_Steady;
	S101   as splitter;
	M101   as Mixer;
	M102   as Mixer;
	C102   as Compressor;

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

	CONNECTIONS
	FEED           to   M101.Inlet1;
	M101.Outlet    to   C101.Inlet;
	C101.Outlet    to   M102.Inlet1;
	M102.Outlet    to   R101.Inlet;
	R101.Outlet    to   F101.Inlet;
	F101.OutletL   to   F102.Inlet;
	F102.OutletV   to   M101.Inlet2;
	F101.OutletV   to   S101.Inlet;
	S101.Outlet1   to   C102.Inlet;
	C102.Outlet    to   M102.Inlet2;
	
	Q1             to   F101.Q;
	Q2             to   F102.Q;	
	
	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.z = [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.OutletV.P = 199 * "atm";
	F101.OutletV.T = (-34 + 273.15) * "K";
	
	F102.OutletV.P = 10 * "atm";
	F102.Q = 0 * "kJ/h";
	
	# We can choose between one of the following specs
	S101.frac = 0.78; # Recycle fraction
	#loose = 1 * "lbmol/h"; # Ammonia in the purge
	
	EQUATIONS
	production = purity * F102.OutletL.F;
	purity = F102.OutletL.z(5);
	loose  = S101.Outlet2.F * S101.Outlet2.z(5);
	
	OPTIONS
	mode = "steady";
	relativeAccuracy = 1e-5;
end