def residual_pressure(density,Pin,T,h2_params,h2o_params,mix_params,x_h2,x_h2o):
from thermodynamic_functions.pressure_vector import pressure_vector
from thermodynamic_functions.enthalpy import enthalpy
from scale_tau_and_delta_kw import scale_tau_and_delta_kw
from pylab import shape
[tau,delta,Tc,rho_c]=scale_tau_and_delta_kw(T,density/mix_params['M_amu'],x_h2,x_h2o,h2_params['Tc'],h2o_params['Tc'],h2_params['rho_c']/h2_params['M_amu'],h2o_params['rho_c']/h2o_params['M_amu'],mix_params['BetaT'],mix_params['BetaV'],mix_params['GammaT'],mix_params['GammaV'])
Pcalc=pressure_vector(density,T,tau,delta,'mix',h2_params,h2o_params,mix_params,x_h2,x_h2o,rho_c,Tc)
err=Pin-Pcalc
return err
def residual_virial_B(density,Bin,T,h2_params,h2o_params,h2o_h2_mix_params,x_h2,x_h2o):
from thermodynamic_functions.Virial_B_vector import Virial_B_vector
from scale_tau_and_delta_kw import scale_tau_and_delta_kw
[tau,delta,Tc,rho_c]=scale_tau_and_delta_kw(T,density/mix_params['M_amu'],x_h2,x_h2o,h2_params['Tc'],h2o_params['Tc'],h2_params['rho_c']/h2_params['M_amu'],h2o_params['rho_c']/h2o_params['M_amu'],mix_params['BetaT'],mix_params['BetaV'],mix_params['GammaT'],mix_params['GammaV'])
#Pcalc=pressure_vector(tau,delta,'mix',h2_params,h2o_params,h2o_h2_mix_params,x_h2,x_h2o,rho_c,Tc)
#print tau#,delta,rho_c,Tc
Bcalc=Virial_B_vector(tau,h2_params,h2o_params,h2o_h2_mix_params,x_h2,x_h2o,rho_c,Tc,'mix')
err=Bin-Bcalc
return err
def scale_tau_and_delta_kw_4comp(T,rho,x1,x2,x3,x4,T_c1,T_c2,T_c3,T_c4,rho_c1,rho_c2,rho_c3,rho_c4,BetaT1,BetaV1,GammaT1,GammaV1,BetaT2,BetaV2,GammaT2,GammaV2,BetaT3,BetaV3,GammaT3,GammaV3,BetaT4,BetaV4,GammaT4,GammaV4,BetaT5,BetaV5,GammaT5,GammaV5,BetaT6,BetaV6,GammaT6,GammaV6):
from scale_tau_and_delta_kw import scale_tau_and_delta_kw
[tau,delta,Tc12,rho12]=scale_tau_and_delta_kw(T,rho,x1,x2,T_c1,T_c2,rho_c1,rho_c2,BetaT1,BetaV1,GammaT1,GammaV1)
[tau,delta,Tc13,rho13]=scale_tau_and_delta_kw(T,rho,x1,x3,T_c1,T_c3,rho_c1,rho_c3,BetaT2,BetaV2,GammaT2,GammaV2)
[tau,delta,Tc14,rho14]=scale_tau_and_delta_kw(T,rho,x1,x4,T_c1,T_c4,rho_c1,rho_c4,BetaT3,BetaV3,GammaT3,GammaV3)
[tau,delta,Tc23,rho23]=scale_tau_and_delta_kw(T,rho,x1,x2,T_c2,T_c3,rho_c2,rho_c3,BetaT4,BetaV4,GammaT4,GammaV4)
[tau,delta,Tc24,rho24]=scale_tau_and_delta_kw(T,rho,x1,x3,T_c2,T_c4,rho_c2,rho_c4,BetaT5,BetaV5,GammaT5,GammaV5)
[tau,delta,Tc34,rho34]=scale_tau_and_delta_kw(T,rho,x1,x4,T_c3,T_c4,rho_c3,rho_c4,BetaT6,BetaV6,GammaT6,GammaV6)
Tc=Tc12+Tc13+Tc14+Tc23+Tc24+Tc34
rho_inv=(1.0/rho12)+(1.0/rho13)+(1.0/rho14)+(1.0/rho23)+(1.0/rho24)+(1.0/rho34)
rho_c=1/rho_inv
tau=Tc/T
delta=rho/rho_c
return tau,delta,Tc,rho_c
def residual_virial_C(density, Cin, T, h2_params, h2o_params, mix_params, x_h2, x_h2o):
from thermodynamic_functions.Virial_C_vector import Virial_C_vector
from scale_tau_and_delta_kw import scale_tau_and_delta_kw
[tau, delta, Tc, rho_c] = scale_tau_and_delta_kw(
T,
density / mix_params["M_amu"],
x_h2,
x_h2o,
h2_params["Tc"],
h2o_params["Tc"],
h2_params["rho_c"] / h2_params["M_amu"],
h2o_params["rho_c"] / h2o_params["M_amu"],
mix_params["BetaT"],
mix_params["BetaV"],
mix_params["GammaT"],
mix_params["GammaV"],
)
Ccalc = Virial_C_vector(tau, h2_params, h2o_params, mix_params, x_h2, x_h2o, rho_c, Tc, "mix")
err = Cin - Ccalc
return err
def calc_enthalpy(p,P,T,x_h2,x_h2o):
#from numpy import shape
from numpy import log10,abs,asarray,shape,zeros
from thermodynamic_functions.Excess_Enthalpy_vector import Excess_Enthalpy_vector
from scipy.optimize import leastsq,fsolve
from residual_pressure import residual_pressure
from scale_tau_and_delta_kw import scale_tau_and_delta_kw
h2_params={'N_i':asarray([-6.93643,0.01,2.1101,4.52059,0.732564,-1.34086,0.130985,-0.777414,0.351944,-0.0211716,0.0226312,0.032187,-0.0231752,0.0557346]),
't_i':asarray([0.6844,1,0.989,0.489,0.803,1.1444,1.409,1.754,1.311,4.187,5.646,0.791,7.249,2.986]),
'd_i':asarray([1,4,1,1,2,2,3,1,3,2,1,3,1,1]),
'p_i':asarray([0,0,0,0,0,0,0,1,1,0/1,0/1,0/1,0/1,0/1]),
'phi_i':asarray([0,0,0,0,0,0,0,0,0,1.685,0.489,0.103,2.506,1.607]),
'Beta_i':asarray([0,0,0,0,0,0,0,0,0, 0.171,0.2245,0.1304,0.2785,0.3967]),
'gamma_i':asarray([0,0,0,0,0,0,0,0,0,0.7164,1.3444,1.4517,0.7204,1.5445]),
'D_i':asarray([0,0,0,0,0,0,0,0,0,1.506,0.156,1.736,0.67,1.6620]),
'Tc':float(33.145),
'rho_c':float(15.508*2.01594), # mol/l -> kg/m^3 factors of 1000 liter converstion, and gram conversion cancel
'R':float(8.314472),
'ni':float(2.5),
'ti':float(0.0),
'vi':asarray([1.616,-0.4117,-0.792,0.758,1.217]),
'ui':asarray([531,751,1989,2484,6859]),
#'R':float(8.314472) #J/mol/K
'ho':float(7206.9069892047), #J/mol
'so':float(143.4846187346), #J/mol/K
'n_power_terms':int(9),
'n_power_terms_wo_exp':int(7),
'n_power_terms_w_exp':int(2),
'n_gaussian_terms':int(5),
'n_critical_terms':int(0),
'n_ideal_gas_terms_pow':int(0),
'n_ideal_gas_terms_exp':int(5),
'RES_a':zeros(5),
'RES_b':zeros(5),
'RES_B':zeros(5),
'RES_C':zeros(5),
'RES_D':zeros(5),
'RES_A':zeros(5),
'To':float(273.15),
'rho_o':float((0.001/(8.314472*273.15))*1000),
'M_amu':float(2.01594),
'ideal_eqn_type':'Cp'}
h2o_phi_i=zeros(51+3)
h2o_phi_i[51]=20.0 # Note, we need to use -sign here
h2o_phi_i[52]=20.0 # Note, we need to use -sign here
h2o_phi_i[53]=20.0 # Note, we need to use -sign here
h2o_Beta_i=zeros(51+5)
h2o_Beta_i[51]=150.0 #Note, we need to use - sign here
h2o_Beta_i[52]=150.0 #Note, we need to use - sign here
h2o_Beta_i[53]=250.0 #Note, we need to use - sign here
h2o_Beta_i[54]=0.3 #Note, we need to use - sign here
h2o_Beta_i[55]=0.3 #Note, we need to use - sign here
h2o_gamma_i=zeros(51+3)
h2o_gamma_i[51]=1.21
h2o_gamma_i[52]=1.21
h2o_gamma_i[53]=1.25
h2o_D_i=zeros(51+3)
h2o_D_i[51]=1.0
h2o_D_i[52]=1.0
h2o_D_i[53]=1.0
h2o_RES_a=zeros(51+5)
h2o_RES_b=zeros(51+5)
h2o_RES_B=zeros(51+5)
h2o_RES_C=zeros(51+5)
h2o_RES_D=zeros(51+5)
h2o_RES_A=zeros(51+5)
h2o_RES_a[54]=3.5
h2o_RES_a[55]=3.5
h2o_RES_b[54]=0.85
h2o_RES_b[55]=0.95
h2o_RES_B[54]=0.2
h2o_RES_B[55]=0.2
h2o_RES_C[54]=28.0
h2o_RES_C[55]=32.0
h2o_RES_D[54]=700.0
h2o_RES_D[55]=800.0
h2o_RES_A[54]=0.32
h2o_RES_A[55]=0.32
h2o_params={'N_i':asarray([0.12533547935523E-1,0.78957634722828E1, -0.87803203303561E1,0.31802509345418, -0.26145533859358, -0.78199751687981E-2,0.88089493102134E-2, -0.66856572307965,0.20433810950965,-0.66212605039687E-4,-0.19232721156002,-0.25709043003438,0.16074868486251,-0.40092828925807E-1,0.39343422603254E-6, -0.75941377088144E-5,0.56250979351888E-3, -0.15608652257135E-4,0.11537996422951E-8, 0.36582165144204E-6, -0.13251180074668E-11,-0.62639586912454E-9, -0.10793600908932, 0.17611491008752E-1, 0.22132295167546, -0.40247669763528,0.58083399985759, 0.49969146990806E-2, -0.31358700712549E-1,-0.74315929710341,0.47807329915480, 0.20527940895948E-1,-0.13636435110343, 0.14180634400617E-1, 0.83326504880713E-2, -0.29052336009585E-1,0.38615085574206E-1, -0.20393486513704E-1,-0.16554050063734E-2,0.19955571979541E-2, 0.15870308324157E-3, -0.16388568342530E-4, 0.43613615723811E-1, 0.34994005463765E-1, -0.76788197844621E-1,0.22446277332006E-1, -0.62689710414685E-4,-0.55711118565645E-9,-0.19905718354408, 0.31777497330738,-0.11841182425981,-0.31306260323435e2,0.31546140237781e2,-0.25213154341695e4,-0.14874640856724,0.31806110878444]),
't_i':asarray([-0.5, 0.875, 1.0, 0.5, 0.75, 0.375, 1.0, 4.0, 6.0, 12.0, 1.0,
5.0, 4.0 , 2.0, 13.0, 9.0 , 3.0 , 4.0, 11.0, 4.0, 13.0, 1.0,
7.0, 1.0 , 9.0, 10.0, 10.0 , 3.0 , 7.0, 10.0, 10.0, 6.0, 10.0,
10.0, 1.0 , 2.0, 3.0, 4.0 , 8.0 , 6.0, 9.0, 8.0, 16.0, 22.0,
23.0,23.0 , 10.0, 50.0, 44.0, 46.0 , 50.0, 0.0, 1.0, 4.0]),
'd_i':asarray([1.0, 1.0, 1.0, 2.0, 2.0, 3.0, 4.0, 1.0, 1.0, 1.0, 2.0, 2.0, 3.0, 4.0,
4.0, 5.0, 7.0, 9.0, 10.0, 11.0, 13.0, 15.0, 1.0, 2.0, 2.0, 2.0, 3.0, 4.0,
4.0, 4.0, 5.0, 6.0, 6.0, 7.0, 9.0, 9.0, 9.0, 9.0, 9.0, 10.0, 10.0, 12.0,
3.0, 4.0, 4.0, 5.0, 14.0, 3.0, 6.0, 6.0, 6.0, 3.0, 3.0, 3.0]),
'p_i':asarray([0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 2.0, 2.0, 2.0, 2.0,
2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0,
2.0, 2.0, 2.0, 3.0, 3.0, 3.0, 3.0, 4.0, 6.0, 6.0, 6.0, 6.0]),
'phi_i':h2o_phi_i,
'Beta_i':h2o_Beta_i,
'gamma_i':h2o_gamma_i,
'D_i':h2o_D_i,
'R':float(8.314472),
'Tc':float(647.096), #K
'rho_c':float(322.0),#18.015268*17.8737279956 #322.000214485 #kg m^-3 #mol/liter 17.8737279956
'M_amu':float(8.314472/0.46151805),
'ideal_n': asarray([-8.32044648201,6.6832105268,3.00632,0.012436,0.97315,1.27950,0.96956,0.24873]),
'ideal_gamma':asarray([0.0,0.0,0.0,1.28728967,3.53734222,7.74073708,9.24437796,27.5075105]),
'n_power_terms':int(51),#len(p_i)
'n_power_terms_wo_exp':int(7),
'n_power_terms_w_exp':int(51-7),
'n_gaussian_terms':int(3),
'n_critical_terms':int(2),
'RES_a':h2o_RES_a,
'RES_b':h2o_RES_b,
'RES_B':h2o_RES_B,
'RES_C':h2o_RES_C,
'RES_D':h2o_RES_D,
'RES_A':h2o_RES_A,
'ni':int(0),
'ti':int(0),
'vi':int(0),
'ui':int(0),
'ho':int(0),
'so':int(0),
'n_ideal_gas_terms_pow':int(0),
'n_ideal_gas_terms_exp':int(0),
'To':int(0),
'Po':int(0),
'rho_o':int(0),
'ideal_eqn_type':'Coef'}
#N_i=asarray([-0.25157134971934,-0.62203841111983e-2,0.88850315184396e-1,-0.35592212573239e-1])
#BetaT=1.0
#BetaV=1.0
#GammaT=1.352643115
#GammaV=1.018702573
#Fudge=p[0]
BetaT=p[0]#p[0]#0.35027854
BetaV=p[1] # p[1]#-0.61593331
GammaT=p[2]#p[2]#1.4401281
GammaV=p[3]#p[3]#-0.12750122
N_i=asarray([p[4],p[5],p[6],p[7]])#asarray([7.92247566, -7.37889621,48.18464436,-9.3777652])
t_i=asarray([p[8],p[9],p[10],p[11]])#asarray([2,-1,1.75,2])
d_i=asarray([p[12],p[13],p[14],p[15]])#asarray([1,3,3,4])#[1,1,3,2])
#N_i=asarray([p[4],p[7],p[10],p[13]])#asarray([p[4],p[7],p[10],p[13]])
#t_i=asarray([p[5],p[8],p[11],p[14]])#asarray([p[5],p[8],p[11],p[14]])
#d_i=asarray([p[6],p[9],p[12],p[15]])#asarray([p[6],p[9],p[12],p[15]])
p_i=asarray([p[16],p[17],p[18],p[19]])#asarray([0.0,0.0,0.0,0.0])
#print p,shape(N_i),shape(t_i),shape(d_i),shape(p_i)
Rmix=x_h2o*h2o_params['R']+x_h2*h2_params['R']
M_amu=x_h2o*h2o_params['M_amu']+x_h2*h2_params['M_amu']
n_power_terms_wo_exp=0
n_power_terms_w_exp=4
mix_params={'N_i':N_i,
'BetaT':BetaT,
'BetaV':BetaV,
'GammaT':GammaT,
'GammaV':GammaV,
't_i':t_i,
'd_i':d_i,
'p_i':p_i,
'n_power_terms_wo_exp':n_power_terms_wo_exp,
'n_power_terms_w_exp':n_power_terms_w_exp,
'phi_i':0,
'Beta_i':0,
'gamma_i':0,
'D_i':0,
'R':Rmix,
'M_amu':M_amu,
'ideal_n': 0,
'ideal_gamma': 0,
'n_gaussian_terms':0,
'n_critical_terms':0,
'RES_a':0,
'RES_b':0,
'RES_B':0,
'RES_C':0,
'RES_D':0,
'RES_A':0,
'ni':0,
'ti':0,
'vi':0,
'ui':0,
'ho':0,
'so':0,
'n_ideal_gas_terms_pow':0,
'n_ideal_gas_terms_exp':0,
'To':0,
'Po':0,
'rho_o':0}
density_guess=P/((Rmix/M_amu)*T)
density=fsolve(residual_pressure,density_guess,args=(P,T,h2_params,h2o_params,mix_params,x_h2,x_h2o))
#[density,message]=leastsq(residual_pressure,density_guess,args=(P,T,h2_params,h2o_params,mix_params,x_h2,x_h2o))
[tau,delta,Tc,rho_c]=scale_tau_and_delta_kw(T,density/mix_params['M_amu'],x_h2,x_h2o,h2_params['Tc'],h2o_params['Tc'],h2_params['rho_c']/h2_params['M_amu'],h2o_params['rho_c']/h2o_params['M_amu'],mix_params['BetaT'],mix_params['BetaV'],mix_params['GammaT'],mix_params['GammaV'])
calculated_enthalpy=Excess_Enthalpy_vector(density,T,tau,delta,Tc,rho_c,h2_params,h2o_params,mix_params,x_h2,x_h2o)
# err=actual_enthalpy-calculated_enthalpy
return calculated_enthalpy
"ho": 0,
"so": 0,
"n_ideal_gas_terms_pow": 0,
"n_ideal_gas_terms_exp": 0,
"To": 0,
"Po": 0,
"rho_o": 0,
}
[tau, delta, Tc, rho_c] = scale_tau_and_delta_kw(
T,
density / h2_ch4_mix_params["M_amu"],
x_h2,
x_ch4,
h2_params["Tc"],
ch4_params["Tc"],
h2_params["rho_c"] / h2_params["M_amu"],
ch4_params["rho_c"] / ch4_params["M_amu"],
h2_ch4_mix_params["BetaT"],
h2_ch4_mix_params["BetaV"],
h2_ch4_mix_params["GammaT"],
h2_ch4_mix_params["GammaV"],
)
P = pressure_vector(density, T, tau, delta, "mix", h2_params, ch4_params, h2_ch4_mix_params, x_h2, x_ch4, rho_c, Tc)
h = enthalpy_vector(density, T, tau, delta, Tc, rho_c, "mix", h2_params, ch4_params, h2_ch4_mix_params, x_h2, x_ch4)
Excess_h = Excess_Enthalpy_vector(
density, T, tau, delta, Tc, rho_c, h2_params, ch4_params, h2_ch4_mix_params, x_h2, x_ch4
)
B = Virial_B_vector(tau, h2_params, ch4_params, h2_ch4_mix_params, x_h2, x_ch4, rho_c, Tc, "mix")
C = Virial_C_vector(tau, h2_params, ch4_params, h2_ch4_mix_params, x_h2, x_ch4, rho_c, Tc, "mix")
print Excess_h # Excess Enthalpy in J/mol
'ni':int(0),
'ti':int(0),
'vi':int(0),
'ui':int(0),
'ho':int(0),
'so':int(0),
'n_ideal_gas_terms_pow':int(0),
'n_ideal_gas_terms_exp':int(0),
'To':int(0),
'Po':int(0),
'rho_o':int(0),
'ideal_eqn_type':'Coef'}
#Rmix=h2o_h2_mix_params['R']/((x_h2o*h2o_component_params['M_amu']+(x_h2*h2_component_params['M_amu'])))
#density_guess=P/(Rmix*T)
#Here we need to iteratively solve (using total Pressure to calculate error) for the right density for a given set of mixture parameters, mole fractions, and total pressure
#leastsq usage plsq=leastsq(residuals,p0,args=(y_meas,x))
#print p
density=0.0 # note density here is ignored, because virial coef is only T dependent left here, because scaling function uses both density+temperature
[tau,delta,Tc,rho_c]=scale_tau_and_delta_kw(T,density,x_h2,x_h2o,h2_params['Tc'],h2o_params['Tc'],h2_params['rho_c'],h2o_params['rho_c'],h2o_h2_mix_params['BetaT'],h2o_h2_mix_params['BetaV'],h2o_h2_mix_params['GammaT'],h2o_h2_mix_params['GammaV'])
Bcalc=Virial_B_vector(tau,h2_component_params,h2o_component_params,h2o_h2_mix_params,x_h2,x_h2o,rho_c/h2o_h2_mix_params['M_amu'],Tc,'mix')
#error_in_virial_b=residual_virial_B(density,B,T,h2_component_params,h2o_component_params,h2o_h2_mix_params,x_h2,x_h2o)
#error_in_pressure=residual_virial_B(density_measured,P,T,h2_component_params,h2o_component_params,h2o_h2_mix_params,x_h2,x_h2o)
return error_in_virial_b
def enthalpy_h2_h2o_mixture(T,P,x_h2,x_h2o,h2o_h2_mix_params):
from thermodynamic_functions.enthalpy_vector import enthalpy_vector
from thermodynamic_functions.pressure import pressure
from scale_tau_and_delta_kw import scale_tau_and_delta_kw
#from pylab import zeros,shape
from numpy import asarray,shape,zeros
from scipy.optimize import leastsq
from residual_pressure import residual_pressure
from residual_pressure_pure_substance import residual_pressure_pure_substance
# equations written to get values for a T (K), and density (kg/m^3)
h2_component_params={'N_i':asarray([-6.93643,0.01,2.1101,4.52059,0.732564,-1.34086,0.130985,-0.777414,0.351944,-0.0211716,0.0226312,0.032187,-0.0231752,0.0557346]),
't_i':asarray([0.6844,1,0.989,0.489,0.803,1.1444,1.409,1.754,1.311,4.187,5.646,0.791,7.249,2.986]),
'd_i':asarray([1,4,1,1,2,2,3,1,3,2,1,3,1,1]),
'p_i':asarray([0,0,0,0,0,0,0,1,1,0/1,0/1,0/1,0/1,0/1]),
'phi_i':asarray([0,0,0,0,0,0,0,0,0,1.685,0.489,0.103,2.506,1.607]),
'Beta_i':asarray([0,0,0,0,0,0,0,0,0, 0.171,0.2245,0.1304,0.2785,0.3967]),
'gamma_i':asarray([0,0,0,0,0,0,0,0,0,0.7164,1.3444,1.4517,0.7204,1.5445]),
'D_i':asarray([0,0,0,0,0,0,0,0,0,1.506,0.156,1.736,0.67,1.6620]),
'Tc':float(33.145),
'rho_c':float(15.508*2.01594), # mol/l -> kg/m^3 factors of 1000 liter converstion, and gram conversion cancel
'R':float(8.314472),
'ni':float(2.5),
'ti':float(0.0),
'vi':asarray([1.616,-0.4117,-0.792,0.758,1.217]),
'ui':asarray([531,751,1989,2484,6859]),
#'R':float(8.314472) #J/mol/K
'ho':float(7206.9069892047), #J/mol
'so':float(143.4846187346), #J/mol/K
'n_power_terms':int(9),
'n_power_terms_wo_exp':int(7),
'n_power_terms_w_exp':int(2),
'n_gaussian_terms':int(5),
'n_critical_terms':int(0),
'n_ideal_gas_terms_pow':int(0),
'n_ideal_gas_terms_exp':int(5),
'RES_a':zeros(5),
'RES_b':zeros(5),
'RES_B':zeros(5),
'RES_C':zeros(5),
'RES_D':zeros(5),
'RES_A':zeros(5),
'To':float(273.15),
'rho_o':float((0.001/(8.314472*273.15))*1000),
'M_amu':float(2.01594),
'ideal_eqn_type':'Cp'}
h2o_phi_i=zeros(51+3)
h2o_phi_i[51]=20.0 # Note, we need to use -sign here
h2o_phi_i[52]=20.0 # Note, we need to use -sign here
h2o_phi_i[53]=20.0 # Note, we need to use -sign here
h2o_Beta_i=zeros(51+5)
h2o_Beta_i[51]=150.0 #Note, we need to use - sign here
h2o_Beta_i[52]=150.0 #Note, we need to use - sign here
h2o_Beta_i[53]=250.0 #Note, we need to use - sign here
h2o_Beta_i[54]=0.3 #Note, we need to use - sign here
h2o_Beta_i[55]=0.3 #Note, we need to use - sign here
h2o_gamma_i=zeros(51+3)
h2o_gamma_i[51]=1.21
h2o_gamma_i[52]=1.21
h2o_gamma_i[53]=1.25
h2o_D_i=zeros(51+3)
h2o_D_i[51]=1.0
h2o_D_i[52]=1.0
h2o_D_i[53]=1.0
h2o_RES_a=zeros(51+5)
h2o_RES_b=zeros(51+5)
h2o_RES_B=zeros(51+5)
h2o_RES_C=zeros(51+5)
h2o_RES_D=zeros(51+5)
h2o_RES_A=zeros(51+5)
h2o_RES_a[54]=3.5
h2o_RES_a[55]=3.5
h2o_RES_b[54]=0.85
h2o_RES_b[55]=0.95
h2o_RES_B[54]=0.2
h2o_RES_B[55]=0.2
h2o_RES_C[54]=28.0
h2o_RES_C[55]=32.0
h2o_RES_D[54]=700.0
h2o_RES_D[55]=800.0
h2o_RES_A[54]=0.32
h2o_RES_A[55]=0.32
h2o_component_params={'N_i':asarray([0.12533547935523E-1,0.78957634722828E1, -0.87803203303561E1,0.31802509345418, -0.26145533859358, -0.78199751687981E-2,0.88089493102134E-2, -0.66856572307965,0.20433810950965,-0.66212605039687E-4,-0.19232721156002,-0.25709043003438,0.16074868486251,-0.40092828925807E-1,0.39343422603254E-6, -0.75941377088144E-5,0.56250979351888E-3, -0.15608652257135E-4,0.11537996422951E-8, 0.36582165144204E-6, -0.13251180074668E-11,-0.62639586912454E-9, -0.10793600908932, 0.17611491008752E-1, 0.22132295167546, -0.40247669763528,0.58083399985759, 0.49969146990806E-2, -0.31358700712549E-1,-0.74315929710341,0.47807329915480, 0.20527940895948E-1,-0.13636435110343, 0.14180634400617E-1, 0.83326504880713E-2, -0.29052336009585E-1,0.38615085574206E-1, -0.20393486513704E-1,-0.16554050063734E-2,0.19955571979541E-2, 0.15870308324157E-3, -0.16388568342530E-4, 0.43613615723811E-1, 0.34994005463765E-1, -0.76788197844621E-1,0.22446277332006E-1, -0.62689710414685E-4,-0.55711118565645E-9,-0.19905718354408, 0.31777497330738,-0.11841182425981,-0.31306260323435e2,0.31546140237781e2,-0.25213154341695e4,-0.14874640856724,0.31806110878444]),
't_i':asarray([-0.5, 0.875, 1.0, 0.5, 0.75, 0.375, 1.0, 4.0, 6.0, 12.0, 1.0,
5.0, 4.0 , 2.0, 13.0, 9.0 , 3.0 , 4.0, 11.0, 4.0, 13.0, 1.0,
7.0, 1.0 , 9.0, 10.0, 10.0 , 3.0 , 7.0, 10.0, 10.0, 6.0, 10.0,
10.0, 1.0 , 2.0, 3.0, 4.0 , 8.0 , 6.0, 9.0, 8.0, 16.0, 22.0,
23.0,23.0 , 10.0, 50.0, 44.0, 46.0 , 50.0, 0.0, 1.0, 4.0]),
'd_i':asarray([1.0, 1.0, 1.0, 2.0, 2.0, 3.0, 4.0, 1.0, 1.0, 1.0, 2.0, 2.0, 3.0, 4.0,
4.0, 5.0, 7.0, 9.0, 10.0, 11.0, 13.0, 15.0, 1.0, 2.0, 2.0, 2.0, 3.0, 4.0,
4.0, 4.0, 5.0, 6.0, 6.0, 7.0, 9.0, 9.0, 9.0, 9.0, 9.0, 10.0, 10.0, 12.0,
3.0, 4.0, 4.0, 5.0, 14.0, 3.0, 6.0, 6.0, 6.0, 3.0, 3.0, 3.0]),
'p_i':asarray([0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0,
1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 2.0, 2.0, 2.0, 2.0,
2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0,
2.0, 2.0, 2.0, 3.0, 3.0, 3.0, 3.0, 4.0, 6.0, 6.0, 6.0, 6.0]),
'phi_i':h2o_phi_i,
'Beta_i':h2o_Beta_i,
'gamma_i':h2o_gamma_i,
'D_i':h2o_D_i,
'R':float(8.314472),
'Tc':float(647.096), #K
'rho_c':float(322.0),#18.015268*17.8737279956 #322.000214485 #kg m^-3 #mol/liter 17.8737279956
'M_amu':float(8.314472/0.46151805),
'ideal_n': asarray([-8.32044648201,6.6832105268,3.00632,0.012436,0.97315,1.27950,0.96956,0.24873]),
'ideal_gamma':asarray([0.0,0.0,0.0,1.28728967,3.53734222,7.74073708,9.24437796,27.5075105]),
'n_power_terms':int(51),#len(p_i)
'n_power_terms_wo_exp':int(7),
'n_power_terms_w_exp':int(51-7),
'n_gaussian_terms':int(3),
'n_critical_terms':int(2),
'RES_a':h2o_RES_a,
'RES_b':h2o_RES_b,
'RES_B':h2o_RES_B,
'RES_C':h2o_RES_C,
'RES_D':h2o_RES_D,
'RES_A':h2o_RES_A,
'ni':int(0),
'ti':int(0),
'vi':int(0),
'ui':int(0),
'ho':int(0),
'so':int(0),
'n_ideal_gas_terms_pow':int(0),
'n_ideal_gas_terms_exp':int(0),
'To':int(0),
'Po':int(0),
'rho_o':int(0),
'ideal_eqn_type':'Coef'}
Rmix=h2o_h2_mix_params['R']/((x_h2o*h2o_component_params['M_amu']+(x_h2*h2_component_params['M_amu'])))
density_guess=P/(Rmix*T)
#Here we need to iteratively solve (using total Pressure to calculate error) for the right density for a given set of mixture parameters, mole fractions, and total pressure
#leastsq usage plsq=leastsq(residuals,p0,args=(y_meas,x))
[density,message]=leastsq(residual_pressure,density_guess,args=(P,T,h2_component_params,h2o_component_params,h2o_h2_mix_params,x_h2,x_h2o))
[tau,delta,Tc,rho_c]=scale_tau_and_delta_kw(T,density,x_h2,x_h2o,h2_component_params['Tc'],h2o_component_params['Tc'],h2_component_params['rho_c'],h2o_component_params['rho_c'],h2o_h2_mix_params['BetaT'],h2o_h2_mix_params['BetaV'],h2o_h2_mix_params['GammaT'],h2o_h2_mix_params['GammaV'])
enthalpy_of_mixture=enthalpy_vector(tau,delta,Tc,rho_c,'mix',h2_component_params,h2o_component_params,h2o_h2_mix_params,x_h2,x_h2o)
#need two things here:
# 1. solve for density as if each component were at full pressure
# 2. Get tau and delta such that they're respective to each pure component's critical points
density_guess=P/((h2_component_params['R']/h2_component_params['M_amu'])*T)
[density_h2,message_h2]=leastsq(residual_pressure_pure_substance,density_guess,args=(P,T,h2_component_params))
density_guess=P/((h2o_component_params['R']/h2o_component_params['M_amu'])*T)
[density_h2o,message_h2o]=leastsq(residual_pressure_pure_substance,density_guess,args=(P,T,h2o_component_params))
enthalpy_of_hydrogen=enthalpy_vector(h2_component_params['Tc']/T,density_h2/h2_component_params['rho_c'],h2_component_params['Tc'],h2_component_params['rho_c'],'pure_substance',h2_component_params,h2_component_params,h2_component_params,1,1)#use mix params here to get back density and T in function for ideal components
enthalpy_of_water=enthalpy_vector(h2o_component_params['Tc']/T,density_h2o/h2o_component_params['rho_c'],h2o_component_params['Tc'],h2o_component_params['rho_c'],'pure_substance',h2o_component_params,h2o_component_params,h2o_component_params,1,1)#use mix params here to get back densith and T in function for ideal components
enthalpy_excess=enthalpy_of_mixture-x_h2*enthalpy_of_hydrogen-x_h2o*enthalpy_of_water
#print shape(enthalpy_of_mixture)
#print enthalpy_excess
#print 'mix', enthalpy_of_mixture
#print'h2', x_h2*enthalpy_of_hydrogen
#print 'h2o',x_h2o*enthalpy_of_water
#print enthalpy_excess
return enthalpy_excess
def scale_tau_and_delta_kw_4comp(
T,
rho,
x1,
x2,
x3,
x4,
T_c1,
T_c2,
T_c3,
T_c4,
rho_c1,
rho_c2,
rho_c3,
rho_c4,
BetaT1,
BetaV1,
GammaT1,
GammaV1,
BetaT2,
BetaV2,
GammaT2,
GammaV2,
BetaT3,
BetaV3,
GammaT3,
GammaV3,
BetaT4,
BetaV4,
GammaT4,
GammaV4,
BetaT5,
BetaV5,
GammaT5,
GammaV5,
BetaT6,
BetaV6,
GammaT6,
GammaV6,
):
from scale_tau_and_delta_kw import scale_tau_and_delta_kw
from numpy import inf, ones, shape
# nominally these relate to correlations according toe GERG 2004, and Karpowicz's correlation:
# hydrogen-methane
[tau, delta, Tc12, rho12] = scale_tau_and_delta_kw(
T, rho, x1, x2, T_c1, T_c2, rho_c1, rho_c2, BetaT1, BetaV1, GammaT1, GammaV1
)
# hydrogen-water
[tau, delta, Tc13, rho13] = scale_tau_and_delta_kw(
T, rho, x1, x3, T_c1, T_c3, rho_c1, rho_c3, BetaT2, BetaV2, GammaT2, GammaV2
)
# nominally there Betas and Gammas should be one (ideal mixing), unless you've worked on a correlation for them (I didn't)
# hydrogen-helium
[tau, delta, Tc14, rho14] = scale_tau_and_delta_kw(
T, rho, x1, x4, T_c1, T_c4, rho_c1, rho_c4, BetaT3, BetaV3, GammaT3, GammaV3
)
# methane-water
[tau, delta, Tc23, rho23] = scale_tau_and_delta_kw(
T, rho, x2, x3, T_c2, T_c3, rho_c2, rho_c3, BetaT4, BetaV4, GammaT4, GammaV4
)
# methane-helium
[tau, delta, Tc24, rho24] = scale_tau_and_delta_kw(
T, rho, x2, x4, T_c2, T_c4, rho_c2, rho_c4, BetaT5, BetaV5, GammaT5, GammaV5
)
# water-helium
[tau, delta, Tc34, rho34] = scale_tau_and_delta_kw(
T, rho, x3, x4, T_c3, T_c4, rho_c3, rho_c4, BetaT6, BetaV6, GammaT6, GammaV6
)
Tc = Tc12 + Tc13 + Tc14 + Tc23 + Tc24 + Tc34
rho_inv1 = 1.0 / rho12
rho_inv2 = 1.0 / rho13
rho_inv3 = 1.0 / rho14
rho_inv4 = 1.0 / rho23
rho_inv5 = 1.0 / rho24
rho_inv6 = 1.0 / rho34
# make sure things don't blow up in your face if you've got a 0 mole fraction of something
rho_inv1[rho_inv1 == inf] = 0.0
rho_inv2[rho_inv2 == inf] = 0.0
rho_inv3[rho_inv3 == inf] = 0.0
rho_inv4[rho_inv4 == inf] = 0.0
rho_inv5[rho_inv5 == inf] = 0.0
rho_inv6[rho_inv6 == inf] = 0.0
rho_inv = rho_inv1 + rho_inv2 + rho_inv3 + rho_inv4 + rho_inv5 + rho_inv6
# logic here is a little kludgy, but it makes sense, and is marginally easier than modifying scale_tau_and_delta_kw
# We have extra x_i*x_i*(1/rho_ci)'s from scale_tau_and_delta_kw depending upon whether or not we have 3 or 4 components
# if we have 2...no problem, otherwise..we've got issues
#
# condition1 will apply if there is x1,x2,and x3 -->subtract off ONE x_i*x_i*(1/rho_ci)
# condition2 will apply if there is x1,x2,x4--> subtract off ONE x_i*x_i*(1/rho_ci)
# now what happens if there is x1,x2,x3,x4? --> subtract off TWO x_i*x_i*(1/rho_ci) (or if you prefer apply condition1 and condition2 applies, so just do them)
condition1 = (x1 != 0.0) & (x2 != 0.0) & (x3 != 0.0)
condition2 = (x1 != 0.0) & (x2 != 0.0) & (x4 != 0.0)
rho_inv[condition1] = rho_inv[condition1] + (
-x1[condition1] * x1[condition1] * (1.0 / rho_c1)
- x2[condition1] * x2[condition1] * (1.0 / rho_c2)
- x4[condition1] * x4[condition1] * (1.0 / rho_c4)
- x3[condition1] * x3[condition1] * (1.0 / rho_c3)
)
Tc[condition1] = Tc[condition1] + (
-x4[condition1] * x4[condition1] * T_c4
- x2[condition1] * x2[condition1] * T_c2
- x1[condition1] * x1[condition1] * T_c1
- x3[condition1] * x3[condition1] * T_c3
)
rho_inv[condition2] = rho_inv[condition2] + (
-x1[condition2] * x1[condition2] * (1.0 / rho_c1)
- x2[condition2] * x2[condition2] * (1.0 / rho_c2)
- x4[condition2] * x4[condition2] * (1.0 / rho_c4)
- x3[condition2] * x3[condition2] * (1.0 / rho_c3)
)
Tc[condition2] = Tc[condition2] + (
-x4[condition2] * x4[condition2] * T_c4
- x2[condition2] * x2[condition2] * T_c2
- x1[condition2] * x1[condition2] * T_c1
- x3[condition2] * x3[condition2] * T_c3
)
rho_c = 1.0 / rho_inv
# Enforce x_i=1.0 for x1,x2,x3,x4
rho_c[x1 == 1.0] = rho_c1
Tc[x1 == 1.0] = T_c1
rho_c[x2 == 1.0] = rho_c2
Tc[x2 == 1.0] = T_c2
rho_c[x3 == 1.0] = rho_c3
Tc[x3 == 1.0] = T_c3
rho_c[x4 == 1.0] = rho_c4
Tc[x4 == 1.0] = T_c4
# finally calc tau and delta
tau = Tc / T
delta = rho / rho_c
return tau, delta, Tc, rho_c
'RES_B':0,
'RES_C':0,
'RES_D':0,
'RES_A':0,
'ni':0,
'ti':0,
'vi':0,
'ui':0,
'ho':0,
'so':0,
'n_ideal_gas_terms_pow':0,
'n_ideal_gas_terms_exp':0,
'To':0,
'Po':0,
'rho_o':0}
Cp_h2=C_p_vector(delta_h2,parameters_H2['Tc']/T,parameters_H2)
Cp_h2o=C_p_vector(delta_h2o,parameters_h2o['Tc']/T,parameters_h2o)
Cp_ch4=C_p_vector(delta_ch4,parameters_ch4['Tc']/T,parameters_ch4)
Cp_He=C_p_vector(delta_he,parameters_he['Tc']/T,parameters_he)
#density=molar_density_h2[0]*parameters_H2['M_amu']+molar_density_ch4[0]*parameters_ch4['M_amu']
[tau,delta,Tc,rho_c]=scale_tau_and_delta_kw(T,density/h2_ch4_mix_params['M_amu'],x_h2,x_ch4,parameters_H2['Tc'],parameters_ch4['Tc'],parameters_H2['rho_c']/parameters_H2['M_amu'],parameters_ch4['rho_c']/parameters_ch4['M_amu'],h2_ch4_mix_params['BetaT'],h2_ch4_mix_params['BetaV'],h2_ch4_mix_params['GammaT'],h2_ch4_mix_params['GammaV'])
print density,T
CP_mix=C_p_vector_mix(density,T,delta,tau,parameters_H2,parameters_ch4,h2_ch4_mix_params,x_h2,x_ch4)
f=open('input_Cp.txt','w')
print density,x_h2[0],x_ch4[0],CP_mix[0]
f.write(str(Cp_h2[0])+'\t'+str(Cp_h2o[0])+'\t'+str(Cp_ch4[0])+'\t'+str(Cp_He[0]))
f.close()
