'''''''''''''''''''''''''''''''''''''''''''''''''''''''

Radius AS REAL
length AS REAL # Dimensionless length of the tube: reciprocal Graetz
number
FiberRadius AS REAL # Fiber radius, cm
MB AS ARRAY(2) OF REAL # MB of CO2, N2 | (gr/mol)
pi AS REAL # Archimedes Constant
ri AS REAL # Internal fiber radius (cm)
e AS REAL # Porosity
t AS REAL # Tortuosity
lm AS REAL # Membrane thickness (cm)
rp AS REAL # Membrane pore radius(cm)

ds AS REAL # External shell diameter (cm)

f AS REAL # Packing factor
dhf AS REAL # External fiber diameter (cm)
XF AS REAL # fractional open area for flow of liquid
di AS REAL # Internal shell diameter (cm)
leff AS REAl # Effective lenght (cm)
Nhf AS REAL # Number of hollow fibers
Temp AS REAL # Module operating temperature (K)
OmegaCoeff AS ARRAY(8) OF REAL # Lennard-Jones constants
QL AS REAL # Volumetric liquid supply (cm3/s)
visc AS REAL # Kinematic viscosity (cm2/s)

DISTRIBUTION_DOMAIN
AXIAL AS [ 0 : length ]
RADIAL AS [ 0 : Radius ]
VARIABLE
# Distributed variables
C AS DISTRIBUTION(AXIAL,RADIAL) OF Concentration # Dimensionless
C_mc AS DISTRIBUTION(AXIAL) OF Concentration # Dimensionless
C_mc_real AS DISTRIBUTION(AXIAL) OF RealConc # mol/cm3
Cs AS DISTRIBUTION(AXIAL) OF RealConc # mol/m3 Shell
side CO2 concentration distribution
# Theoretical Sherwood and Mass Transfer numbers
Sh_avg_o AS DISTRIBUTION(AXIAL) OF AvgSherwood
Sh_avg AS DISTRIBUTION(AXIAL) OF AvgSherwood
K_avg_o AS DISTRIBUTION(AXIAL) OF MassTransferCoeff # average
overall film transfer coefficient, cm/s
K_avg AS DISTRIBUTION(AXIAL) OF MassTransferCoeff # average
lumen film transfer coefficient from the entrance to z, cm/s
'''''''''''''''''''''''''''''''''''''''
624-635

'''''''''''''''''''''''''''''''''''''''
Ci AS RealConc # CO2 feed concentration, mol/cm3
Cout AS RealConc # CO2 outlet concentration, mol/cm3
Dm AS Diffusivity # CO2 combined (effective) diffusivity, cm2/s
Dgco2 AS Diffusivity # CO2 molecular diffusivity, cm2/s
Dlco2 AS Diffusivity # CO2 diffusivity in water, cm2/s
Dk AS Diffusivity # CO2 Knudsen diffusivity, cm2/s
Kext AS MassTransferCoeff # Combined (external) mass transfer
coefficient, cm/s
Kmeff AS MassTransferCoeff # Membrane effective mass transfer
coefficient, cm/s
Kmg AS MassTransferCoeff # Membrane gas mass transfer coefficient,
cm/s
Kml AS MassTransferCoeff # Membrane gas mass transfer coefficient,
cm/s
Ks AS MassTransferCoeff # Shell-side mass transfer coefficient,
cm/s
m_prime AS DimEqCoeff # Separation factor
Ms AS EqCoeff
ReciprGraetz AS RecGraetz
Res AS Reynolds # Reynolds number on shell side
Scs AS Schmidt # Schmidt number on shell side
Shs AS Sherwood # Sherwood number on shell side
Shw AS Sherwood # Sherwood number on membrane wall (lumen side)
U AS Velocity
Yout AS MolarFraction
Dh AS Length # Hydraulic diameter (cm)
TLJ AS RedTemp # Reduced temperature, T* Lennard-Jones
Omega AS Omega # Lennard-Jones
Hcw AS Henry # Henry CO2 in H2O (mol/cm3/atm)
Ha AS DimHenry # Dimensionless Henry of CO2 in H2O
w AS Velocity
wett AS Wetting
Cs_aster AS RealConc # mol/cm3
# Conductivity-percolation relationships | Kirkpatrick, Phys. Rev. letters 27
(1971) 1722-1725.
AA, BB, CC AS Conductance
Conn AS Connectivity
Cond AS ARRAY(2) OF MassTransferCoeff
Kmeff_probe AS MassTransferCoeff # Membrane effective mass transfer
coefficient incl. porous network complexity, cm/s
# Optimization variables
Exp_value AS ExperValue

BOUNDARY
FOR r:=0 TO Radius DO # @ z = 0
C(0,r)=1 ;
END

FOR z:=0|+ TO length DO

PARTIAL(C(z,0),RADIAL) = 0 ; # symmetry boundary condition
PARTIAL(C(z,Radius),RADIAL) = -(Shw/2) * (C(z,Radius)+m_prime*(C_mc(z)-1)) ; #
wall flux
END

'
# EQUATION
'
FOR z:=0|+ TO length DO
FOR r:=0|+ TO Radius|- DO
(1-r^2)*r*PARTIAL(C(z,r),AXIAL) =
2*PARTIAL(r*PARTIAL(C(z,r),RADIAL),RADIAL) ;
END
END

FOR z:=0 TO length DO

C_mc(z) = 4*INTEGRAL(r:=0:Radius;r*(1-r^2)*C(z,r));
END
# Experimental mixed-cup concentration # Adjustment to experimental values
Exp_value = Yout;
# CO2 molar fraction at the exit
Yout = Cout*Rgas*Temp/P;
Cout = C_mc_real(length);
# Counter-current mode
FOR z:=0 To length DO
QG*(Ci-C_mc_real(z)) = QL*(Cs_aster-Cs(z));
END

Cs_aster = (Ci - C_mc_real(length))*QG/QL;

FOR z:=0 TO length DO

(Ci-Ms*Cs_aster)*C_mc(z) = (C_mc_real(z)-Ms*Cs_aster);
END

# Theoretical Sherwood numbers

IF m_prime = -1 THEN
Sh_avg_o(0) = -PARTIAL(C_mc(0),Axial)/4;
FOR z:=0|+ TO length DO
Sh_avg_o(z) = (1-C_mc(z))/(4*z);
END # For
ELSE # If
Sh_avg_o(0) = -1/(C_mc(0)*(1+m_prime)-
m_prime)*PARTIAL((C_mc(0)*(1+m_prime)-m_prime),AXIAL)/(4*(1+m_prime));
FOR z:=0|+ TO length DO
Sh_avg_o(z) = -LOG(C_mc(z)*(1+m_prime)-m_prime)/(4*(1+m_prime)*z);
END # For
END # If

FOR z:=0 TO length DO

Sh_avg(z) = 1/(1/Sh_avg_o(z) - 1/Shw);
K_avg(z) = (1/2/FiberRadius)*Dgco2*Sh_avg(z);
K_avg_o(z) = (1/2/FiberRadius)*Dgco2*Sh_avg_o(z);
END

# Eqs. for physical properties

Ci = P*Yin/Rgas/Temp;
w = ( 2*QL / (pi*leff*XF)) * ((log(ds/di)) / (ds-di));
Res = w *dhf/visc;
Scs = visc/Dlco2;
Shw = 2*Kext*FiberRadius/Dgco2;
Shs = 1.76 * Res^0.82 * Scs^0.33;
ReciprGraetz = leff*Dgco2/(4*U*FiberRadius^2);
Dh = (ds^2 - di^2 - Nhf*dhf^2) / (Nhf*dhf);
TLJ = Temp / 118.0562578;
Omega = (OmegaCoeff(1)/(TLJ^OmegaCoeff(2))) + (OmegaCoeff(3)/
(exp(TLJ*OmegaCoeff(4)))) +
(OmegaCoeff(5)/(exp(TLJ*OmegaCoeff(6)))) + (OmegaCoeff(7)/
(exp(TLJ*OmegaCoeff(8))));
Dgco2 = 1.8583E-3 * Temp^1.5 * (0.016145488/(P*Omega));
Dlco2 = 0.0235 * exp(-2119/Temp);
Dk = 9700 * rp * sqrt(Temp/MB(1));
Dm = 1/( 1/Dgco2 + 1/Dk );
Hcw = 3.54E-8 * exp(2044/Temp);
Ha = Hcw * Rgas * Temp;
Ms = 1/Ha;
Ks = (Shs * Dlco2 ) / Dhf;
Kmg = (Dm*e) / (t*lm);
 Kml = (Dlco2*e) / (t*lm);
# Kmeff = 1 / ( ((1 - wett)/Kmg) + (wett/Kml) ) ;
Kmeff = Kmeff_probe;
Kext = 1 / ((1/Kmeff)+(Ms/Ks));
U = QG / (Nhf*pi*ri^2);
m_prime = -Ms*QG/QL;

# Conductivity-percolation relationships | Kirkpatrick, S., Classical transport in

disordered media: scaling and effective-medium theories, Phys. Rev. letters 27
(1971) 1722-1725.
AA = Conn-2;
BB = ((1/2*Conn*(1-wett)-1)*Cond(1) + (1/2*Conn*wett-1)*Cond(2));
CC = Cond(1)*Cond(2);
Cond(1) = Kmg;
Cond(2) = Kml;
IF Conn = 2.0 THEN
Kmeff_probe = - CC/BB; # equal to Kmeff = 1 / ( ((1 - wett)/Kmg) +
(wett/Kml) ) ;
ELSE # If
Kmeff_probe = (BB + SQRT(BB^2 + 2*AA*CC))/AA;
END # If