1. Phase diagram

Calculate phase boundary of pure NaCl, and compare result with [Driesner & Heinrich, 2007].

Python code

import os
import numpy as np
import time
import linecache
import matplotlib.pyplot as plt
import matplotlib as mpl
from matplotlib import patches
import matplotlib.ticker as ticker
from matplotlib.ticker import MultipleLocator
from tabulate import tabulate
import copy
import warnings
warnings.filterwarnings("ignore", category=RuntimeWarning)
mpl.rcParams['font.family'] = 'Arial'  # default font family
mpl.rcParams['mathtext.fontset'] = 'cm'  # font for math
dpi=100 # > 100 means use jpg format in gallery
fmt_figs = ['pdf']  # ['svg','pdf']
figpath = '.'
result_path='../../../gallery_NaCl/pT'
def savefig(figname):
    for fmt_fig in fmt_figs:
        figname_full = '%s/%s.%s' % (figpath, figname, fmt_fig)
        plt.savefig(figname_full, bbox_inches='tight',dpi=dpi)
        print('figure saved: ', figname_full)
compare = lambda a,b : float(str('%.6e'%(a)))-float(str('%.6e'%(b)))
# Import package of xThermo
from xThermo import H2O
from xThermo import NaCl
from xThermo import H2ONaCl
sw_84 = H2ONaCl.cH2ONaCl("IAPS84")
sw_95 = H2ONaCl.cH2ONaCl("IAPWS95")
salt_84 = NaCl.cNaCl("IAPS84")
salt_95 = NaCl.cNaCl("IAPWS95")

def plot_PhaseDiagram(salt,sw, scale='linear'):
    # Fig. 4 of Driesner(2007a)
    T = np.linspace(300, 1100, 100) + 273.15
    P_boiling = np.array(salt.Boiling_p(T))
    P_sublimation = np.array(salt.Sublimation_p(T))
    P_melting = np.linspace(NaCl.P_Triple, 5000E5, 100)
    T_melting = np.array(salt.Melting_T(P_melting))
    fig=plt.figure(figsize=(8,8))
    ax=plt.gca()
    # boiling curve
    ind_boil=(T>=NaCl.T_Triple)
    l,=ax.semilogy(T[ind_boil]-273.15, P_boiling[ind_boil]/1E5, color='orange',label='Boiling curve')
    # ax.semilogy(np.array(salt.Boiling_T(P_boiling[ind_boil]))-273.15, P_boiling[ind_boil]/1E5, color='red',ls='dashed',lw=0.5)
    # sublimation curve
    ind_sub=(T<=NaCl.T_Triple)
    l,=ax.semilogy(T[ind_sub]-273.15, P_sublimation[ind_sub]/1E5, color='green',label='Sublimation curve')
    # melting curve
    l,=ax.semilogy(T_melting-273.15, P_melting/1E5, color='m',label='Melting curve')
    # triple point
    ax.plot(NaCl.T_Triple-273.15, NaCl.P_Triple/1E5, 'o', mfc='red',mec='w', label='Triple point: (%.2f $^{\circ}$C, %.2f Pa)'%(NaCl.T_Triple-273.15, NaCl.P_Triple))
    # valid pressure of H2O-NaCl
    ax.axhline(sw.pmin()/1E5,color='r',label='Valid $P_{min}$ = %.1f bar\n$H2O-NaCl$ lib'%(sw.pmin()/1E5),ls='dashed')
    # phase region
    ax.fill_betweenx(np.append(P_sublimation[ind_sub], P_melting)/1E5, np.append(T[ind_sub], T_melting)-273.15, T.min()-273.15, fc='lightblue',ec='None',label='Solid phase',zorder=0)
    ax.fill(np.append(T[ind_boil][::-1], np.append(T_melting,T.max()))-273.15,np.append(P_boiling[ind_boil][::-1], np.append(P_melting,P_melting.max()))/1E5, T.min()-273.15, fc='lightgreen',ec='None',label='Liquid phase',zorder=0)
    ax.fill_betweenx(np.append(P_sublimation[ind_sub], P_boiling[ind_boil])/1E5, np.append(T[ind_sub], T[ind_boil])-273.15, T.max()-273.15, fc='gray',ec='None',label='Vapor phase',zorder=0)
    # invalid region
    ax.fill_between(T-273.15, T*0 + sw.pmin()/1E5,0,fc='w',ec='None',alpha=0.5)
    ax.legend(ncol=2,loc='lower right')
    ax.yaxis.set_major_locator(mpl.ticker.LogLocator(base=10.0, numticks=20))
    ax.xaxis.set_major_locator(MultipleLocator(100))
    ax.set_xlim(T.min()-273.15, T.max()-273.15)
    ax.set_ylim(2E-13, 5000)
    ax.grid(lw=0.2, color='gray')
    ax.set_xlabel('Temperature ($^{\circ}$C)')
    ax.set_ylabel('P (bar)')
    savefig('PhaseDiagram_NaCl')

Phase diagram

plot_PhaseDiagram(salt_84,sw_84,'linear')

Out:

figure saved:  ./PhaseDiagram_NaCl.pdf

Benchmark comparison

Compare result of xThermo with [Driesner & Heinrich, 2007], and also compare result based on different EOS of water.

Python code

def benchmark_NaCl(salt,mmc1='../../H2ONaCl/Driesner2007a/1-s2.0-S0016703707002943-mmc1.txt'):
    # compare
    if(not os.path.exists(mmc1)):
        print('Please set correct mmc1 file path: %s'%(mmc1))
        exit()
    T0_melting, P0_melting = np.loadtxt(mmc1,skiprows=14,max_rows=64-14,unpack=True)
    T0_sub, P0_sub = np.loadtxt(mmc1,skiprows=78,max_rows=400-78,unpack=True)
    T0_boil, P0_boil = np.loadtxt(mmc1,skiprows=414,max_rows=496-414,unpack=True)
    # 1. calculate halite liquidus
    P_boil = np.array(salt.Boiling_p(T0_boil+273.15))/1E5
    P_sub = np.array(salt.Sublimation_p(T0_sub+273.15))/1E5
    P_melting = np.array(salt.Melting_p(T0_melting+273.15))/1E5
    # compare result dict
    Data0 = {'Melting P': P0_melting,'Boiling P': P0_boil,'Sublimation P': P0_sub}
    Data_ = {'Melting P': P_melting,'Boiling P': P_boil,'Sublimation P': P_sub}
    Err,RErr={},{}
    for key in Data0.keys(): Err[key],RErr[key] = Data0[key]-Data_[key], np.abs(Data0[key]-Data_[key])/(Data0[key])*100.0
    fig=plt.figure(figsize=(8,8))
    ax=plt.gca()
    # print to file
    for name,T0,P0,P in zip(['Melting','Boiling','Sublimation'],[T0_melting,T0_boil,T0_sub],[P0_melting,P0_boil,P0_sub],[P_melting,P_boil,P_sub]):
        fpout = open('%s/mmc1_%s_%s.csv'%(result_path,name,salt.name_backend()),'w')
        fpout.write('T[C],P(Driesner)[bar],P(xThermo),P(err)\n')
        for i in range(0,len(T0)):
            fpout.write('%f,%.6e,%.6e,%.6e\n'%(T0[i],P0[i],P[i],compare(P0[i],P[i])))
        fpout.close()
        ax.plot(T0,P,lw=4,label=name)
        ax.plot(T0,P0,'.',mfc='r',mec='w',markeredgewidth=0.5)
    ax.set_yscale('log')
    ax.legend()
    ax.set_ylim(1E-5,5000)
    ax.set_xlim(600,1000)
    ax.set_xlabel('Temperature ($^{\circ}$C)')
    ax.set_ylabel('P (bar)')
    savefig('Diff_PhaseBoundary')
    # statistics of the difference
    table=[]
    for key in list(Err.keys()):
        RErr[key] = RErr[key][~(np.isnan(RErr[key]) | np.isinf(RErr[key]))]
        table.append([key,Err[key].min(),Err[key].max(),RErr[key].min(),RErr[key].max()])
    print(tabulate(table, headers=['Pressure (bar)', 'Err. Min', 'Err. Max','RE. Min(%)','RE. Max(%)'],numalign="right",floatfmt=".6f"))

Based on IAPS84 EOS

benchmark_NaCl(salt_84)

Out:

figure saved:  ./Diff_PhaseBoundary.pdf
Pressure (bar)      Err. Min    Err. Max    RE. Min(%)    RE. Max(%)
----------------  ----------  ----------  ------------  ------------
Melting P          -0.004902    0.004294      0.000000      0.000307
Boiling P          -0.000000    0.000000      0.000000      0.000039
Sublimation P      -0.000000    0.000000      0.000000      0.000042

Based on IAPWS95 EOS

benchmark_NaCl(salt_95)

Out:

figure saved:  ./Diff_PhaseBoundary.pdf
Pressure (bar)      Err. Min    Err. Max    RE. Min(%)    RE. Max(%)
----------------  ----------  ----------  ------------  ------------
Melting P          -0.004902    0.004294      0.000000      0.000307
Boiling P          -0.000000    0.000000      0.000000      0.000039
Sublimation P      -0.000000    0.000000      0.000000      0.000042

Result table

Result data calculated by xThermo based on both water EOS of IAPS84 and IAPWS95.

Melting curve

IAPS84

Table 7 Comparison between result of [Driesner & Heinrich, 2007] (Electronic Annex EA-1) and result calculated by xThermo.
T[C]	P(Driesner)[bar]	P(xThermo)	P(err)
800.700000	5.000000e-04	5.000000e-04	0.000000e+00
805.000000	1.739060e+02	1.739065e+02	-5.000000e-04
810.000000	3.761220e+02	3.761228e+02	-8.000000e-04
815.000000	5.783390e+02	5.783391e+02	-1.000000e-04
820.000000	7.805550e+02	7.805554e+02	-4.000000e-04
825.000000	9.827710e+02	9.827717e+02	-7.000000e-04
830.000000	1.184990e+03	1.184988e+03	2.000000e-03
835.000000	1.387200e+03	1.387204e+03	-4.000000e-03
840.000000	1.589420e+03	1.589421e+03	-1.000000e-03
845.000000	1.791640e+03	1.791637e+03	3.000000e-03
850.000000	1.993850e+03	1.993853e+03	-3.000000e-03
855.000000	2.196070e+03	2.196069e+03	1.000000e-03
860.000000	2.398290e+03	2.398286e+03	4.000000e-03
865.000000	2.600500e+03	2.600502e+03	-2.000000e-03
870.000000	2.802720e+03	2.802718e+03	2.000000e-03
875.000000	3.004930e+03	3.004935e+03	-5.000000e-03
880.000000	3.207150e+03	3.207151e+03	-1.000000e-03
885.000000	3.409370e+03	3.409367e+03	3.000000e-03
890.000000	3.611580e+03	3.611583e+03	-3.000000e-03
895.000000	3.813800e+03	3.813800e+03	0.000000e+00
900.000000	4.016020e+03	4.016016e+03	4.000000e-03
905.000000	4.218230e+03	4.218232e+03	-2.000000e-03
910.000000	4.420450e+03	4.420449e+03	1.000000e-03
915.000000	4.622660e+03	4.622665e+03	-5.000000e-03
920.000000	4.824880e+03	4.824881e+03	-1.000000e-03

IAPWS95

Table 8 Comparison between result of [Driesner & Heinrich, 2007] (Electronic Annex EA-1) and result calculated by xThermo.
T[C]	P(Driesner)[bar]	P(xThermo)	P(err)
800.700000	5.000000e-04	5.000000e-04	0.000000e+00
805.000000	1.739060e+02	1.739065e+02	-5.000000e-04
810.000000	3.761220e+02	3.761228e+02	-8.000000e-04
815.000000	5.783390e+02	5.783391e+02	-1.000000e-04
820.000000	7.805550e+02	7.805554e+02	-4.000000e-04
825.000000	9.827710e+02	9.827717e+02	-7.000000e-04
830.000000	1.184990e+03	1.184988e+03	2.000000e-03
835.000000	1.387200e+03	1.387204e+03	-4.000000e-03
840.000000	1.589420e+03	1.589421e+03	-1.000000e-03
845.000000	1.791640e+03	1.791637e+03	3.000000e-03
850.000000	1.993850e+03	1.993853e+03	-3.000000e-03
855.000000	2.196070e+03	2.196069e+03	1.000000e-03
860.000000	2.398290e+03	2.398286e+03	4.000000e-03
865.000000	2.600500e+03	2.600502e+03	-2.000000e-03
870.000000	2.802720e+03	2.802718e+03	2.000000e-03
875.000000	3.004930e+03	3.004935e+03	-5.000000e-03
880.000000	3.207150e+03	3.207151e+03	-1.000000e-03
885.000000	3.409370e+03	3.409367e+03	3.000000e-03
890.000000	3.611580e+03	3.611583e+03	-3.000000e-03
895.000000	3.813800e+03	3.813800e+03	0.000000e+00
900.000000	4.016020e+03	4.016016e+03	4.000000e-03
905.000000	4.218230e+03	4.218232e+03	-2.000000e-03
910.000000	4.420450e+03	4.420449e+03	1.000000e-03
915.000000	4.622660e+03	4.622665e+03	-5.000000e-03
920.000000	4.824880e+03	4.824881e+03	-1.000000e-03

Boiling curve

IAPS84

Table 9 Comparison between result of [Driesner & Heinrich, 2007] (Electronic Annex EA-1) and result calculated by xThermo.
T[C]	P(Driesner)[bar]	P(xThermo)	P(err)
800.700000	5.000000e-04	5.000000e-04	0.000000e+00
805.000000	5.419375e-04	5.419375e-04	0.000000e+00
810.000000	5.946665e-04	5.946665e-04	0.000000e+00
815.000000	6.519693e-04	6.519693e-04	0.000000e+00
820.000000	7.141926e-04	7.141926e-04	0.000000e+00
825.000000	7.817053e-04	7.817053e-04	0.000000e+00
830.000000	8.548997e-04	8.548997e-04	0.000000e+00
835.000000	9.341927e-04	9.341927e-04	0.000000e+00
840.000000	1.020027e-03	1.020027e-03	0.000000e+00
845.000000	1.112873e-03	1.112873e-03	0.000000e+00
850.000000	1.213228e-03	1.213228e-03	0.000000e+00
855.000000	1.321622e-03	1.321622e-03	0.000000e+00
860.000000	1.438612e-03	1.438612e-03	0.000000e+00
865.000000	1.564793e-03	1.564793e-03	0.000000e+00
870.000000	1.700789e-03	1.700789e-03	0.000000e+00
875.000000	1.847263e-03	1.847263e-03	0.000000e+00
880.000000	2.004915e-03	2.004915e-03	0.000000e+00
885.000000	2.174483e-03	2.174483e-03	0.000000e+00
890.000000	2.356747e-03	2.356747e-03	0.000000e+00
895.000000	2.552529e-03	2.552529e-03	0.000000e+00
900.000000	2.762695e-03	2.762695e-03	0.000000e+00
905.000000	2.988158e-03	2.988158e-03	0.000000e+00
910.000000	3.229879e-03	3.229879e-03	0.000000e+00
915.000000	3.488868e-03	3.488868e-03	0.000000e+00
920.000000	3.766189e-03	3.766189e-03	0.000000e+00
925.000000	4.062960e-03	4.062960e-03	0.000000e+00
930.000000	4.380352e-03	4.380352e-03	0.000000e+00
935.000000	4.719600e-03	4.719600e-03	0.000000e+00
940.000000	5.081996e-03	5.081996e-03	0.000000e+00
945.000000	5.468896e-03	5.468896e-03	0.000000e+00
950.000000	5.881723e-03	5.881723e-03	0.000000e+00
955.000000	6.321965e-03	6.321965e-03	0.000000e+00
960.000000	6.791182e-03	6.791182e-03	0.000000e+00
965.000000	7.291008e-03	7.291008e-03	0.000000e+00
970.000000	7.823150e-03	7.823150e-03	0.000000e+00
975.000000	8.389394e-03	8.389394e-03	0.000000e+00
980.000000	8.991608e-03	8.991608e-03	0.000000e+00
985.000000	9.631743e-03	9.631743e-03	0.000000e+00
990.000000	1.031183e-02	1.031183e-02	0.000000e+00
995.000000	1.103401e-02	1.103401e-02	0.000000e+00
1000.000000	1.180048e-02	1.180048e-02	0.000000e+00

IAPWS95

Table 10 Comparison between result of [Driesner & Heinrich, 2007] (Electronic Annex EA-1) and result calculated by xThermo.
T[C]	P(Driesner)[bar]	P(xThermo)	P(err)
800.700000	5.000000e-04	5.000000e-04	0.000000e+00
805.000000	5.419375e-04	5.419375e-04	0.000000e+00
810.000000	5.946665e-04	5.946665e-04	0.000000e+00
815.000000	6.519693e-04	6.519693e-04	0.000000e+00
820.000000	7.141926e-04	7.141926e-04	0.000000e+00
825.000000	7.817053e-04	7.817053e-04	0.000000e+00
830.000000	8.548997e-04	8.548997e-04	0.000000e+00
835.000000	9.341927e-04	9.341927e-04	0.000000e+00
840.000000	1.020027e-03	1.020027e-03	0.000000e+00
845.000000	1.112873e-03	1.112873e-03	0.000000e+00
850.000000	1.213228e-03	1.213228e-03	0.000000e+00
855.000000	1.321622e-03	1.321622e-03	0.000000e+00
860.000000	1.438612e-03	1.438612e-03	0.000000e+00
865.000000	1.564793e-03	1.564793e-03	0.000000e+00
870.000000	1.700789e-03	1.700789e-03	0.000000e+00
875.000000	1.847263e-03	1.847263e-03	0.000000e+00
880.000000	2.004915e-03	2.004915e-03	0.000000e+00
885.000000	2.174483e-03	2.174483e-03	0.000000e+00
890.000000	2.356747e-03	2.356747e-03	0.000000e+00
895.000000	2.552529e-03	2.552529e-03	0.000000e+00
900.000000	2.762695e-03	2.762695e-03	0.000000e+00
905.000000	2.988158e-03	2.988158e-03	0.000000e+00
910.000000	3.229879e-03	3.229879e-03	0.000000e+00
915.000000	3.488868e-03	3.488868e-03	0.000000e+00
920.000000	3.766189e-03	3.766189e-03	0.000000e+00
925.000000	4.062960e-03	4.062960e-03	0.000000e+00
930.000000	4.380352e-03	4.380352e-03	0.000000e+00
935.000000	4.719600e-03	4.719600e-03	0.000000e+00
940.000000	5.081996e-03	5.081996e-03	0.000000e+00
945.000000	5.468896e-03	5.468896e-03	0.000000e+00
950.000000	5.881723e-03	5.881723e-03	0.000000e+00
955.000000	6.321965e-03	6.321965e-03	0.000000e+00
960.000000	6.791182e-03	6.791182e-03	0.000000e+00
965.000000	7.291008e-03	7.291008e-03	0.000000e+00
970.000000	7.823150e-03	7.823150e-03	0.000000e+00
975.000000	8.389394e-03	8.389394e-03	0.000000e+00
980.000000	8.991608e-03	8.991608e-03	0.000000e+00
985.000000	9.631743e-03	9.631743e-03	0.000000e+00
990.000000	1.031183e-02	1.031183e-02	0.000000e+00
995.000000	1.103401e-02	1.103401e-02	0.000000e+00
1000.000000	1.180048e-02	1.180048e-02	0.000000e+00

Sublimation curve

IAPS84

Table 11 Comparison between result of [Driesner & Heinrich, 2007] (Electronic Annex EA-1) and result calculated by xThermo.
T[C]	P(Driesner)[bar]	P(xThermo)	P(err)
5.000000	1.770379e-35	1.770379e-35	0.000000e+00
10.000000	9.944481e-35	9.944481e-35	0.000000e+00
15.000000	5.261222e-34	5.261222e-34	0.000000e+00
20.000000	2.629728e-33	2.629728e-33	0.000000e+00
25.000000	1.245364e-32	1.245364e-32	0.000000e+00
30.000000	5.602773e-32	5.602773e-32	0.000000e+00
35.000000	2.400574e-31	2.400574e-31	0.000000e+00
40.000000	9.818567e-31	9.818567e-31	0.000000e+00
45.000000	3.841964e-30	3.841964e-30	0.000000e+00
50.000000	1.441196e-29	1.441196e-29	0.000000e+00
55.000000	5.192730e-29	5.192730e-29	0.000000e+00
60.000000	1.800359e-28	1.800359e-28	0.000000e+00
65.000000	6.016642e-28	6.016642e-28	0.000000e+00
70.000000	1.941240e-27	1.941240e-27	0.000000e+00
75.000000	6.056084e-27	6.056084e-27	0.000000e+00
80.000000	1.829419e-26	1.829419e-26	0.000000e+00
85.000000	5.358320e-26	5.358320e-26	0.000000e+00
90.000000	1.523675e-25	1.523675e-25	0.000000e+00
95.000000	4.211413e-25	4.211413e-25	0.000000e+00
100.000000	1.132741e-24	1.132741e-24	0.000000e+00
105.000000	2.968043e-24	2.968043e-24	0.000000e+00
110.000000	7.583878e-24	7.583878e-24	0.000000e+00
115.000000	1.891542e-23	1.891542e-23	0.000000e+00
120.000000	4.609402e-23	4.609402e-23	0.000000e+00
125.000000	1.098392e-22	1.098392e-22	0.000000e+00
130.000000	2.561629e-22	2.561629e-22	0.000000e+00
135.000000	5.851467e-22	5.851467e-22	0.000000e+00
140.000000	1.310177e-21	1.310177e-21	0.000000e+00
145.000000	2.877553e-21	2.877553e-21	0.000000e+00
150.000000	6.203571e-21	6.203571e-21	0.000000e+00
155.000000	1.313615e-20	1.313615e-20	0.000000e+00
160.000000	2.733834e-20	2.733834e-20	0.000000e+00
165.000000	5.595147e-20	5.595147e-20	0.000000e+00
170.000000	1.126761e-19	1.126761e-19	0.000000e+00
175.000000	2.233925e-19	2.233925e-19	0.000000e+00
180.000000	4.362605e-19	4.362605e-19	0.000000e+00
185.000000	8.396119e-19	8.396119e-19	0.000000e+00
190.000000	1.593207e-18	1.593207e-18	0.000000e+00
195.000000	2.982108e-18	2.982108e-18	0.000000e+00
200.000000	5.508337e-18	5.508337e-18	0.000000e+00
205.000000	1.004487e-17	1.004487e-17	0.000000e+00
210.000000	1.809120e-17	1.809120e-17	0.000000e+00
215.000000	3.219260e-17	3.219260e-17	0.000000e+00
220.000000	5.661993e-17	5.661993e-17	0.000000e+00
225.000000	9.846009e-17	9.846009e-17	0.000000e+00
230.000000	1.693462e-16	1.693462e-16	0.000000e+00
235.000000	2.881747e-16	2.881747e-16	0.000000e+00
240.000000	4.853297e-16	4.853297e-16	0.000000e+00
245.000000	8.091872e-16	8.091872e-16	0.000000e+00
250.000000	1.336033e-15	1.336033e-15	0.000000e+00
255.000000	2.185055e-15	2.185055e-15	0.000000e+00
260.000000	3.540791e-15	3.540791e-15	0.000000e+00
265.000000	5.686469e-15	5.686469e-15	0.000000e+00
270.000000	9.053095e-15	9.053095e-15	0.000000e+00
275.000000	1.429115e-14	1.429115e-14	0.000000e+00
280.000000	2.237448e-14	2.237448e-14	0.000000e+00
285.000000	3.474966e-14	3.474966e-14	0.000000e+00
290.000000	5.354922e-14	5.354922e-14	0.000000e+00
295.000000	8.189364e-14	8.189364e-14	0.000000e+00
300.000000	1.243163e-13	1.243163e-13	0.000000e+00
305.000000	1.873573e-13	1.873573e-13	0.000000e+00
310.000000	2.803873e-13	2.803873e-13	0.000000e+00
315.000000	4.167438e-13	4.167438e-13	0.000000e+00
320.000000	6.152879e-13	6.152879e-13	0.000000e+00
325.000000	9.025237e-13	9.025237e-13	0.000000e+00
330.000000	1.315468e-12	1.315468e-12	0.000000e+00
335.000000	1.905512e-12	1.905512e-12	0.000000e+00
340.000000	2.743584e-12	2.743584e-12	0.000000e+00
345.000000	3.927027e-12	3.927027e-12	0.000000e+00
350.000000	5.588692e-12	5.588692e-12	0.000000e+00
355.000000	7.908913e-12	7.908913e-12	0.000000e+00
360.000000	1.113119e-11	1.113119e-11	0.000000e+00
365.000000	1.558262e-11	1.558262e-11	0.000000e+00
370.000000	2.170041e-11	2.170041e-11	0.000000e+00
375.000000	3.006603e-11	3.006603e-11	0.000000e+00
380.000000	4.144922e-11	4.144922e-11	0.000000e+00
385.000000	5.686406e-11	5.686406e-11	0.000000e+00
390.000000	7.764056e-11	7.764056e-11	0.000000e+00
395.000000	1.055152e-10	1.055152e-10	0.000000e+00
400.000000	1.427456e-10	1.427456e-10	0.000000e+00
405.000000	1.922536e-10	1.922536e-10	0.000000e+00
410.000000	2.578064e-10	2.578064e-10	0.000000e+00
415.000000	3.442399e-10	3.442399e-10	0.000000e+00
420.000000	4.577382e-10	4.577382e-10	0.000000e+00
425.000000	6.061785e-10	6.061785e-10	0.000000e+00
430.000000	7.995563e-10	7.995563e-10	0.000000e+00
435.000000	1.050508e-09	1.050508e-09	0.000000e+00
440.000000	1.374952e-09	1.374952e-09	0.000000e+00
445.000000	1.792867e-09	1.792867e-09	0.000000e+00
450.000000	2.329242e-09	2.329242e-09	0.000000e+00
455.000000	3.015229e-09	3.015229e-09	0.000000e+00
460.000000	3.889527e-09	3.889527e-09	0.000000e+00
465.000000	5.000060e-09	5.000060e-09	0.000000e+00
470.000000	6.405984e-09	6.405984e-09	0.000000e+00
475.000000	8.180092e-09	8.180092e-09	0.000000e+00
480.000000	1.041168e-08	1.041168e-08	0.000000e+00
485.000000	1.320996e-08	1.320996e-08	0.000000e+00
490.000000	1.670813e-08	1.670813e-08	0.000000e+00
495.000000	2.106811e-08	2.106811e-08	0.000000e+00
500.000000	2.648629e-08	2.648629e-08	0.000000e+00
505.000000	3.320009e-08	3.320009e-08	0.000000e+00
510.000000	4.149584e-08	4.149584e-08	0.000000e+00
515.000000	5.171790e-08	5.171790e-08	0.000000e+00
520.000000	6.427933e-08	6.427933e-08	0.000000e+00
525.000000	7.967438e-08	7.967438e-08	0.000000e+00
530.000000	9.849293e-08	9.849293e-08	0.000000e+00
535.000000	1.214373e-07	1.214373e-07	0.000000e+00
540.000000	1.493415e-07	1.493415e-07	0.000000e+00
545.000000	1.831938e-07	1.831938e-07	0.000000e+00
550.000000	2.241627e-07	2.241627e-07	0.000000e+00
555.000000	2.736261e-07	2.736261e-07	0.000000e+00
560.000000	3.332056e-07	3.332056e-07	0.000000e+00
565.000000	4.048054e-07	4.048054e-07	0.000000e+00
570.000000	4.906567e-07	4.906567e-07	0.000000e+00
575.000000	5.933683e-07	5.933683e-07	0.000000e+00
580.000000	7.159840e-07	7.159840e-07	0.000000e+00
585.000000	8.620485e-07	8.620485e-07	0.000000e+00
590.000000	1.035681e-06	1.035681e-06	0.000000e+00
595.000000	1.241659e-06	1.241659e-06	0.000000e+00
600.000000	1.485512e-06	1.485512e-06	0.000000e+00
605.000000	1.773632e-06	1.773632e-06	0.000000e+00
610.000000	2.113387e-06	2.113387e-06	0.000000e+00
615.000000	2.513261e-06	2.513261e-06	0.000000e+00
620.000000	2.983002e-06	2.983002e-06	0.000000e+00
625.000000	3.533791e-06	3.533791e-06	0.000000e+00
630.000000	4.178433e-06	4.178433e-06	0.000000e+00
635.000000	4.931564e-06	4.931564e-06	0.000000e+00
640.000000	5.809888e-06	5.809888e-06	0.000000e+00
645.000000	6.832435e-06	6.832435e-06	0.000000e+00
650.000000	8.020854e-06	8.020854e-06	0.000000e+00
655.000000	9.399729e-06	9.399729e-06	0.000000e+00
660.000000	1.099694e-05	1.099694e-05	0.000000e+00
665.000000	1.284404e-05	1.284404e-05	0.000000e+00
670.000000	1.497672e-05	1.497672e-05	0.000000e+00
675.000000	1.743524e-05	1.743524e-05	0.000000e+00
680.000000	2.026501e-05	2.026501e-05	0.000000e+00
685.000000	2.351711e-05	2.351711e-05	0.000000e+00
690.000000	2.724896e-05	2.724896e-05	0.000000e+00
695.000000	3.152501e-05	3.152501e-05	0.000000e+00
700.000000	3.641748e-05	3.641748e-05	0.000000e+00
705.000000	4.200724e-05	4.200724e-05	0.000000e+00
710.000000	4.838465e-05	4.838465e-05	0.000000e+00
715.000000	5.565060e-05	5.565060e-05	0.000000e+00
720.000000	6.391757e-05	6.391757e-05	0.000000e+00
725.000000	7.331082e-05	7.331082e-05	0.000000e+00
730.000000	8.396963e-05	8.396963e-05	0.000000e+00
735.000000	9.604874e-05	9.604874e-05	0.000000e+00
740.000000	1.097198e-04	1.097198e-04	0.000000e+00
745.000000	1.251730e-04	1.251730e-04	0.000000e+00
750.000000	1.426189e-04	1.426189e-04	0.000000e+00
755.000000	1.622902e-04	1.622902e-04	0.000000e+00
760.000000	1.844439e-04	1.844439e-04	0.000000e+00
765.000000	2.093636e-04	2.093636e-04	0.000000e+00
770.000000	2.373615e-04	2.373615e-04	0.000000e+00
775.000000	2.687815e-04	2.687815e-04	0.000000e+00
780.000000	3.040016e-04	3.040016e-04	0.000000e+00
785.000000	3.434369e-04	3.434369e-04	0.000000e+00
790.000000	3.875429e-04	3.875429e-04	0.000000e+00
795.000000	4.368189e-04	4.368189e-04	0.000000e+00
800.000000	4.918115e-04	4.918115e-04	0.000000e+00
800.700000	5.000000e-04	5.000000e-04	0.000000e+00

IAPWS95

Table 12 Comparison between result of [Driesner & Heinrich, 2007] (Electronic Annex EA-1) and result calculated by xThermo.
T[C]	P(Driesner)[bar]	P(xThermo)	P(err)
5.000000	1.770379e-35	1.770379e-35	0.000000e+00
10.000000	9.944481e-35	9.944481e-35	0.000000e+00
15.000000	5.261222e-34	5.261222e-34	0.000000e+00
20.000000	2.629728e-33	2.629728e-33	0.000000e+00
25.000000	1.245364e-32	1.245364e-32	0.000000e+00
30.000000	5.602773e-32	5.602773e-32	0.000000e+00
35.000000	2.400574e-31	2.400574e-31	0.000000e+00
40.000000	9.818567e-31	9.818567e-31	0.000000e+00
45.000000	3.841964e-30	3.841964e-30	0.000000e+00
50.000000	1.441196e-29	1.441196e-29	0.000000e+00
55.000000	5.192730e-29	5.192730e-29	0.000000e+00
60.000000	1.800359e-28	1.800359e-28	0.000000e+00
65.000000	6.016642e-28	6.016642e-28	0.000000e+00
70.000000	1.941240e-27	1.941240e-27	0.000000e+00
75.000000	6.056084e-27	6.056084e-27	0.000000e+00
80.000000	1.829419e-26	1.829419e-26	0.000000e+00
85.000000	5.358320e-26	5.358320e-26	0.000000e+00
90.000000	1.523675e-25	1.523675e-25	0.000000e+00
95.000000	4.211413e-25	4.211413e-25	0.000000e+00
100.000000	1.132741e-24	1.132741e-24	0.000000e+00
105.000000	2.968043e-24	2.968043e-24	0.000000e+00
110.000000	7.583878e-24	7.583878e-24	0.000000e+00
115.000000	1.891542e-23	1.891542e-23	0.000000e+00
120.000000	4.609402e-23	4.609402e-23	0.000000e+00
125.000000	1.098392e-22	1.098392e-22	0.000000e+00
130.000000	2.561629e-22	2.561629e-22	0.000000e+00
135.000000	5.851467e-22	5.851467e-22	0.000000e+00
140.000000	1.310177e-21	1.310177e-21	0.000000e+00
145.000000	2.877553e-21	2.877553e-21	0.000000e+00
150.000000	6.203571e-21	6.203571e-21	0.000000e+00
155.000000	1.313615e-20	1.313615e-20	0.000000e+00
160.000000	2.733834e-20	2.733834e-20	0.000000e+00
165.000000	5.595147e-20	5.595147e-20	0.000000e+00
170.000000	1.126761e-19	1.126761e-19	0.000000e+00
175.000000	2.233925e-19	2.233925e-19	0.000000e+00
180.000000	4.362605e-19	4.362605e-19	0.000000e+00
185.000000	8.396119e-19	8.396119e-19	0.000000e+00
190.000000	1.593207e-18	1.593207e-18	0.000000e+00
195.000000	2.982108e-18	2.982108e-18	0.000000e+00
200.000000	5.508337e-18	5.508337e-18	0.000000e+00
205.000000	1.004487e-17	1.004487e-17	0.000000e+00
210.000000	1.809120e-17	1.809120e-17	0.000000e+00
215.000000	3.219260e-17	3.219260e-17	0.000000e+00
220.000000	5.661993e-17	5.661993e-17	0.000000e+00
225.000000	9.846009e-17	9.846009e-17	0.000000e+00
230.000000	1.693462e-16	1.693462e-16	0.000000e+00
235.000000	2.881747e-16	2.881747e-16	0.000000e+00
240.000000	4.853297e-16	4.853297e-16	0.000000e+00
245.000000	8.091872e-16	8.091872e-16	0.000000e+00
250.000000	1.336033e-15	1.336033e-15	0.000000e+00
255.000000	2.185055e-15	2.185055e-15	0.000000e+00
260.000000	3.540791e-15	3.540791e-15	0.000000e+00
265.000000	5.686469e-15	5.686469e-15	0.000000e+00
270.000000	9.053095e-15	9.053095e-15	0.000000e+00
275.000000	1.429115e-14	1.429115e-14	0.000000e+00
280.000000	2.237448e-14	2.237448e-14	0.000000e+00
285.000000	3.474966e-14	3.474966e-14	0.000000e+00
290.000000	5.354922e-14	5.354922e-14	0.000000e+00
295.000000	8.189364e-14	8.189364e-14	0.000000e+00
300.000000	1.243163e-13	1.243163e-13	0.000000e+00
305.000000	1.873573e-13	1.873573e-13	0.000000e+00
310.000000	2.803873e-13	2.803873e-13	0.000000e+00
315.000000	4.167438e-13	4.167438e-13	0.000000e+00
320.000000	6.152879e-13	6.152879e-13	0.000000e+00
325.000000	9.025237e-13	9.025237e-13	0.000000e+00
330.000000	1.315468e-12	1.315468e-12	0.000000e+00
335.000000	1.905512e-12	1.905512e-12	0.000000e+00
340.000000	2.743584e-12	2.743584e-12	0.000000e+00
345.000000	3.927027e-12	3.927027e-12	0.000000e+00
350.000000	5.588692e-12	5.588692e-12	0.000000e+00
355.000000	7.908913e-12	7.908913e-12	0.000000e+00
360.000000	1.113119e-11	1.113119e-11	0.000000e+00
365.000000	1.558262e-11	1.558262e-11	0.000000e+00
370.000000	2.170041e-11	2.170041e-11	0.000000e+00
375.000000	3.006603e-11	3.006603e-11	0.000000e+00
380.000000	4.144922e-11	4.144922e-11	0.000000e+00
385.000000	5.686406e-11	5.686406e-11	0.000000e+00
390.000000	7.764056e-11	7.764056e-11	0.000000e+00
395.000000	1.055152e-10	1.055152e-10	0.000000e+00
400.000000	1.427456e-10	1.427456e-10	0.000000e+00
405.000000	1.922536e-10	1.922536e-10	0.000000e+00
410.000000	2.578064e-10	2.578064e-10	0.000000e+00
415.000000	3.442399e-10	3.442399e-10	0.000000e+00
420.000000	4.577382e-10	4.577382e-10	0.000000e+00
425.000000	6.061785e-10	6.061785e-10	0.000000e+00
430.000000	7.995563e-10	7.995563e-10	0.000000e+00
435.000000	1.050508e-09	1.050508e-09	0.000000e+00
440.000000	1.374952e-09	1.374952e-09	0.000000e+00
445.000000	1.792867e-09	1.792867e-09	0.000000e+00
450.000000	2.329242e-09	2.329242e-09	0.000000e+00
455.000000	3.015229e-09	3.015229e-09	0.000000e+00
460.000000	3.889527e-09	3.889527e-09	0.000000e+00
465.000000	5.000060e-09	5.000060e-09	0.000000e+00
470.000000	6.405984e-09	6.405984e-09	0.000000e+00
475.000000	8.180092e-09	8.180092e-09	0.000000e+00
480.000000	1.041168e-08	1.041168e-08	0.000000e+00
485.000000	1.320996e-08	1.320996e-08	0.000000e+00
490.000000	1.670813e-08	1.670813e-08	0.000000e+00
495.000000	2.106811e-08	2.106811e-08	0.000000e+00
500.000000	2.648629e-08	2.648629e-08	0.000000e+00
505.000000	3.320009e-08	3.320009e-08	0.000000e+00
510.000000	4.149584e-08	4.149584e-08	0.000000e+00
515.000000	5.171790e-08	5.171790e-08	0.000000e+00
520.000000	6.427933e-08	6.427933e-08	0.000000e+00
525.000000	7.967438e-08	7.967438e-08	0.000000e+00
530.000000	9.849293e-08	9.849293e-08	0.000000e+00
535.000000	1.214373e-07	1.214373e-07	0.000000e+00
540.000000	1.493415e-07	1.493415e-07	0.000000e+00
545.000000	1.831938e-07	1.831938e-07	0.000000e+00
550.000000	2.241627e-07	2.241627e-07	0.000000e+00
555.000000	2.736261e-07	2.736261e-07	0.000000e+00
560.000000	3.332056e-07	3.332056e-07	0.000000e+00
565.000000	4.048054e-07	4.048054e-07	0.000000e+00
570.000000	4.906567e-07	4.906567e-07	0.000000e+00
575.000000	5.933683e-07	5.933683e-07	0.000000e+00
580.000000	7.159840e-07	7.159840e-07	0.000000e+00
585.000000	8.620485e-07	8.620485e-07	0.000000e+00
590.000000	1.035681e-06	1.035681e-06	0.000000e+00
595.000000	1.241659e-06	1.241659e-06	0.000000e+00
600.000000	1.485512e-06	1.485512e-06	0.000000e+00
605.000000	1.773632e-06	1.773632e-06	0.000000e+00
610.000000	2.113387e-06	2.113387e-06	0.000000e+00
615.000000	2.513261e-06	2.513261e-06	0.000000e+00
620.000000	2.983002e-06	2.983002e-06	0.000000e+00
625.000000	3.533791e-06	3.533791e-06	0.000000e+00
630.000000	4.178433e-06	4.178433e-06	0.000000e+00
635.000000	4.931564e-06	4.931564e-06	0.000000e+00
640.000000	5.809888e-06	5.809888e-06	0.000000e+00
645.000000	6.832435e-06	6.832435e-06	0.000000e+00
650.000000	8.020854e-06	8.020854e-06	0.000000e+00
655.000000	9.399729e-06	9.399729e-06	0.000000e+00
660.000000	1.099694e-05	1.099694e-05	0.000000e+00
665.000000	1.284404e-05	1.284404e-05	0.000000e+00
670.000000	1.497672e-05	1.497672e-05	0.000000e+00
675.000000	1.743524e-05	1.743524e-05	0.000000e+00
680.000000	2.026501e-05	2.026501e-05	0.000000e+00
685.000000	2.351711e-05	2.351711e-05	0.000000e+00
690.000000	2.724896e-05	2.724896e-05	0.000000e+00
695.000000	3.152501e-05	3.152501e-05	0.000000e+00
700.000000	3.641748e-05	3.641748e-05	0.000000e+00
705.000000	4.200724e-05	4.200724e-05	0.000000e+00
710.000000	4.838465e-05	4.838465e-05	0.000000e+00
715.000000	5.565060e-05	5.565060e-05	0.000000e+00
720.000000	6.391757e-05	6.391757e-05	0.000000e+00
725.000000	7.331082e-05	7.331082e-05	0.000000e+00
730.000000	8.396963e-05	8.396963e-05	0.000000e+00
735.000000	9.604874e-05	9.604874e-05	0.000000e+00
740.000000	1.097198e-04	1.097198e-04	0.000000e+00
745.000000	1.251730e-04	1.251730e-04	0.000000e+00
750.000000	1.426189e-04	1.426189e-04	0.000000e+00
755.000000	1.622902e-04	1.622902e-04	0.000000e+00
760.000000	1.844439e-04	1.844439e-04	0.000000e+00
765.000000	2.093636e-04	2.093636e-04	0.000000e+00
770.000000	2.373615e-04	2.373615e-04	0.000000e+00
775.000000	2.687815e-04	2.687815e-04	0.000000e+00
780.000000	3.040016e-04	3.040016e-04	0.000000e+00
785.000000	3.434369e-04	3.434369e-04	0.000000e+00
790.000000	3.875429e-04	3.875429e-04	0.000000e+00
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800.000000	4.918115e-04	4.918115e-04	0.000000e+00
800.700000	5.000000e-04	5.000000e-04	0.000000e+00

Total running time of the script: ( 0 minutes 4.859 seconds)

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