#*-------------------------------------------------------------------
* 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.
*
*----------------------------------------------------------------------
* Author: Rafael de Pelegrini Soares
* $Id: sample_methanol.mso 83 2006-12-08 20:29:34Z paula $
*--------------------------------------------------------------------*#

FLOWRATE     as Real(Default=500, Lower=0,        Upper=100000);#,Unit="kmol/h");
EXTENT       as Real(Default=500, Lower=-1000000, Upper=1000000);
MOLEFRACTION as Real(Default=0.2, Lower=0,        Upper=1);
PRESSURE     as Real(Default=10,  Lower=0,        Upper=1000); #,Unit="bar");

Model MESEPARATOR
	PARAMETERS
		ext NoComp;
	VARIABLES
	in	FLOWIN(NoComp) as FLOWRATE;
	out FLOWOUT1(NoComp) as FLOWRATE;
	out FLOWOUT2(NoComp) as FLOWRATE;
		TOTAL1 as FLOWRATE;
		TOTAL2 as FLOWRATE;
		X3 as MOLEFRACTION; X4 as MOLEFRACTION;
		Y3 as MOLEFRACTION; Y4 as MOLEFRACTION;
	EQUATIONS
		"Balanco Global"
		FLOWOUT1 + FLOWOUT2 = FLOWIN;
		"Total flows"
		TOTAL1 = sum (FLOWOUT1);
		TOTAL2 = sum (FLOWOUT2);
		"Fracoes molares"
		X3 * TOTAL1 = FLOWOUT1(3);
		X4 * TOTAL1 = FLOWOUT1(4);
		Y3 * TOTAL2 = FLOWOUT2(3);
		Y4 * TOTAL2 = FLOWOUT2(4);
		"Equilibrium fraction"
		Y3 = 3.8E-3 * X3;
		Y4 = 8.0E-4 * X4;
	
		FLOWOUT1([1,2,5,6,7]) = 0;
end

Model FEEDERMB    #  Feed stream definition (material balance only)
	PARAMETERS
		ext NoComp;
	VARIABLES
	out FLOWOUT(NoComp) as FLOWRATE;
		X(NoComp)  as MOLEFRACTION;
		TOTAL     as FLOWRATE;
	EQUATIONS
		#  Total feed flow
		TOTAL = sum (FLOWOUT);
		#  Material fractions of feed stream
		X * TOTAL = FLOWOUT;
end

Model MEREACTOR
	PARAMETERS
		ext NoComp;
		Temp as Real(Default=500, Lower=300);
		Pressure as Real(Default=100);
	VARIABLES
	in	FLOWIN(NoComp) as FLOWRATE;
	out FLOWOUT(NoComp) as FLOWRATE;
		TOTAL     as FLOWRATE;
		EXTENT1 as EXTENT;
		EXTENT2 as EXTENT;
		X(NoComp)  as MOLEFRACTION;
		KJ1 as Real(Default=0.6);
		KJ2 as Real(Default=1);
		KX1; KX2; KP10;
		KP20;
	EQUATIONS
		#  Definition of equilibrium constants
		KJ1  = 0.6 + 1.5E-3 * (Temp - 473);
		KP10 = 10.0^(9.218 + 3971/Temp - 7.492 * log(Temp)
		     + 1.77E-3 * Temp - 3.11E-8 * Temp^2);
		KX1  = KP10/KJ1 * Pressure^2;
		KJ2  = 0.89 + 4.0E-4 * (Temp-463);
		KP20 = 10.0^(1.664 - 1850/(Temp+10));
		KX2  = KP20/KJ2;
		#  Outlet flows from extent and stoichiometry
		FLOWOUT(1) = FLOWIN(1) - EXTENT1 + EXTENT2;
		FLOWOUT(2) = FLOWIN(2) - 2 * EXTENT1 - EXTENT2;
		FLOWOUT(3) = FLOWIN(3) + EXTENT1;
		FLOWOUT(4) = FLOWIN(4) + EXTENT2;
		FLOWOUT(5) = FLOWIN(5) - EXTENT2;
		FLOWOUT(6) = FLOWIN(6);
		FLOWOUT(7) = FLOWIN(7);
		#  Total outlet flow
		TOTAL = sum (FLOWOUT);
		#  Mole fractions
		TOTAL * X = FLOWOUT;
		#  Reaction equilibria
		X(3) = X(1) * X(2)^2 * KX1;
		X(1) * X(4) = X(5) * X(2) * KX2;
end

Model SPLITMB    # TWO Stream SPLITTER (MATERIAL BALANCE ONLY)
	PARAMETERS
		ext NoComp;
	VARIABLES
	out FLOWOUT2(NoComp) as FLOWRATE;
	in	FLOWIN(NoComp) as FLOWRATE;
		out FLOWOUT1(NoComp) as FLOWRATE;
		TOTAL1 as FLOWRATE;
		TOTAL2 as FLOWRATE;
		X1(NoComp) as MOLEFRACTION;
		X2(NoComp) as MOLEFRACTION;
		FRACTION   as MOLEFRACTION;
	EQUATIONS
		#  Stream split
		FLOWOUT1    = FLOWIN * FRACTION;
		#  Component material balance
		FLOWIN      = FLOWOUT1 + FLOWOUT2;
		#  Total flows of output streams
		TOTAL1      = sum (FLOWOUT1);
		TOTAL2      = sum (FLOWOUT2);
		#  Material fractions of output streams
		X1 * TOTAL1 = FLOWOUT1;
		X2 * TOTAL2 = FLOWOUT2;
end

Model MAKEUPMB    # MIXER of TWO StreamS (MATERIAL BALANCE ONLY)  
	PARAMETERS
		ext NoComp;
	VARIABLES
	out FLOWOUT(NoComp) as FLOWRATE;
	in	FLOWIN1(NoComp) as FLOWRATE;
	in	FLOWIN2(NoComp) as FLOWRATE;
		TOTAL as FLOWRATE;
		TOTALMAKE as FLOWRATE;
		TOTALR    as FLOWRATE;
		X(NoComp) as MOLEFRACTION;
		RATIO as Real(Default=1e-3);
	EQUATIONS
		#  Component material balances
		FLOWIN1 + FLOWIN2 = FLOWOUT;
		#  Total flow of output stream
		TOTAL = sum (FLOWOUT);
		#  Material fractions of output stream
		X * TOTAL = FLOWOUT;
		#  Specification of recycle ratio
		TOTALMAKE = sum (FLOWIN1);
		TOTALR    = sum (FLOWIN2);
		TOTALR    = RATIO * TOTALMAKE;
end

FlowSheet MethanolProcess
	PARAMETERS
		NoComp as Integer(Brief="Number of Components");
	DEVICES
		Mixer as MAKEUPMB;
		Feeder as FEEDERMB;
		Reactor as MEREACTOR;
		Purge as SPLITMB;
		Separator as MESEPARATOR;
	CONNECTIONS
		Feeder.FLOWOUT		to	Mixer.FLOWIN1;
		Mixer.FLOWOUT		to	Reactor.FLOWIN;
		Reactor.FLOWOUT		to	Separator.FLOWIN;
		Separator.FLOWOUT2	to	Purge.FLOWIN;
		Purge.FLOWOUT2		to	Mixer.FLOWIN2;
	SPECIFY
		Feeder.TOTAL = 6000;
		Feeder.X(2:NoComp) = [0.146, 0.720, 0, 0.001, 0.06, 0.032];
		Purge.FRACTION = 0.08776;
	SET
		NoComp = 7;
		Reactor.Temp     = 533.15;
		Reactor.Pressure = 120;
	OPTIONS
		mode = "steady";
end