def Call_Calc_ChemPot( MFrac ): # This function will calculate the ChemPotential, the input is MolFraction
for iphase in range(ThT.NPhase): # Loop for Phases
node_init = iphase * ThT.NComp ; node_final = iphase * ThT.NComp + ThT.NComp
# For phase 0, 1st component : node_init = 0 & node_final = 0 * 1 + 1 = 1
# For phase 1, 2nd component : node_init = 2 & node_final = 1 * 2 + 2 = 4
ChemPot = [0. for z in range(ThT.NComp * ThT.NPhase) ] # Creating a temporary array ChemPot
print MFrac[ node_init:node_final ], node_init, node_final
ChemPot[ node_init:node_final ] = chemp.Calc_ChemPot( iphase, MFrac[ node_init : node_final ] )
# ChemPot[ 0 : 1 ] = chemp.Calc_ChemPot( iphase, MFrac[ 0 : 1 ] )
# End Loop for Phases
return ChemPot
def Call_Calc_ChemPot(MFrac): # This function will ...
for iphase in range(ThT.NPhase): # Loop for Phases
node_init = iphase * ThT.NComp
node_final = iphase * ThT.NComp + ThT.NComp
ChemPot = [0. for z in range(ThT.NComp * ThT.NPhase)
] # Creating a temporary array ChemPot
#print MFrac[ node_init:node_final ], node_init, node_final
ChemPot[node_init:node_final] = chemp.Calc_ChemPot(
iphase, MFrac[node_init:node_final])
# End Loop for Phases
''' NOT SURE WHY O YOU NEED i AND j here ... BOTH CONDITIONALS DO THE SAME THING
if i == j: # What am I doing here ... What is the diff here in this conditional ???
print MFrac[ node_init:node_final ], node_init, node_final
ChemPot[ node_init:node_final ] = chemp.Calc_ChemPot( iphase, MFrac[ node_init : node_final ] )
else:
print ' i am in the else case ' #' for the component ', ThT.Species[i],' with respect to' , ThT.Species[j]
ChemPot[ node_init:node_final ] = chemp.Calc_ChemPot( iphase, MFrac[ node_init : node_final ] )
# end of the i=j conditional representing ... '''
return ChemPot
chempot = [0. for i in range(ThT.NComp**2)]
for i in range(ThT.NComp):
for j in range(ThT.NComp):
node = i * ThT.NComp + j
node_init = iphase * ThT.NComp
node_final = iphase * ThT.NComp + ThT.NComp
#print ' you are at the node ', node_init , node_final
ChemPot = [
0. for z in range(ThT.NComp * ThT.NPhase)
] # Set up an array of chemical potential for each component at each phase (dimension NComp * NPhase )
#print ' ChemPot = ', ChemPot
if i == j:
print ' for the component ', ThT.Species[i]
print MFrac[
node_init:node_final], node_init, node_final
ChemPot[node_init:node_final] = chemp.Calc_ChemPot(
iphase, MFrac[node_init:node_final])
else:
print ' i am in the else case ' #' for the component ', ThT.Species[i],' with respect to' , ThT.Species[j]
ChemPot[node_init:node_final] = chemp.Calc_ChemPot(
iphase, MFrac[node_init:node_final])
print
time.sleep(0)
""" Calculating Gibbs molar """
PhaseFrac = [0. for i in range(ThT.NPhase)]
PhaseFrac[0] = 0.35
PhaseFrac[1] = 1. - PhaseFrac[0]
sumGibbs = 0.
sumfeed = 0.
for icomp in range(ThT.NComp):
Vphase = 0
i] # overall feed mass fraction of the component
print ''
node_init = iphase * ThT.NComp
node_final = iphase * ThT.NComp + ThT.NComp
#print node_init , node_final
ChemPot = [
0. for i in range(ThT.NComp * ThT.NPhase)
] # Set up an array of chemical potential for each component at each phase (dimension NComp * NPhase )
if i == j:
print ' for the component ', ThT.Species[i]
#for iphase in range( ThT.NPhase ):
print MFrac[node_init:node_final], node_init, node_final
ChemPot[node_init:node_final] = chemp.Calc_ChemPot(
iphase, MFrac[node_init:node_final]
) # This function will return the chemical potential of phase IPhase
print ' the ChemPot = ', ChemPot[
node_init:
node_final] # components and then it can be be operated to obtain the molar Gibbs energy.
print
else: # this is for the rest of the elements of the square matrix of the aij
print ' for the component ', ThT.Species[
i], ' with respect to', ThT.Species[j]
print
print
time.sleep(0)
'''
def Calc_ChemPot( iphase, MFrac ):
sz = np.shape(MFrac)[0]
print ' now i am in the chempot function '