def test_Hvap():
"""Test the enthalpy of vaporization function to see if it is working correctly."""
# Toluene
print('########## Test with toluene ##########')
x = np.asarray([1.])
m = np.asarray([2.8149])
s = np.asarray([3.7169])
e = np.asarray([285.69])
pyargs = {}
ref = 33500. # source: DIPPR correlation
p = 90998. # source: reference equation of state from Polt, A.; Platzer, B.; Maurer, G., Parameter der thermischen Zustandsgleichung von Bender fuer 14 mehratomige reine Stoffe, Chem. Tech. (Leipzig), 1992, 44, 6, 216-224.
calc = pcsaft_Hvap(p, x, m, s, e, 380., pyargs)[0]
print('----- Enthalpy of vaporization at 380 K -----')
print(' Reference:', ref, 'J mol^-1')
print(' PC-SAFT:', calc, 'J mol^-1')
print(' Relative deviation:', (calc - ref) / ref * 100, '%')
# Water
print('\n########## Test with water ##########')
m = np.asarray([1.2047])
e = np.asarray([353.95])
volAB = np.asarray([0.0451])
eAB = np.asarray([2425.67])
pyargs = {'e_assoc': eAB, 'vol_a': volAB}
ref = 44761.23 # source: IAWPS95 EOS
p = 991.82 # source: IAWPS95 EOS
t = 280
s = np.asarray(
[2.7927 + 10.11 * np.exp(-0.01775 * t) - 1.417 * np.exp(-0.01146 * t)])
calc = pcsaft_Hvap(p, x, m, s, e, t, pyargs)[0]
print('----- Enthalpy of vaporization at 280 K -----')
print(' Reference:', ref, 'J mol^-1')
print(' PC-SAFT:', calc, 'J mol^-1')
print(' Relative deviation:', (calc - ref) / ref * 100, '%')
# Butyl acetate
print('\n########## Test with butyl acetate ##########')
m = np.asarray([2.76462805])
s = np.asarray([4.02244938])
e = np.asarray([263.69902915])
dpm = np.asarray([1.84])
dip_num = np.asarray([4.99688339])
pyargs = {'dipm': dpm, 'dip_num': dip_num}
ref = 32280. # source: DIPPR correlation
p = 362200. # source: DIPPR correlation
calc = pcsaft_Hvap(p, x, m, s, e, 450., pyargs)[0]
print('----- Enthalpy of vaporization at 450 K -----')
print(' Reference:', ref, 'J mol^-1')
print(' PC-SAFT:', calc, 'J mol^-1')
print(' Relative deviation:', (calc - ref) / ref * 100, '%')
return None
def test_Hvap():
"""Test the enthalpy of vaporization function to see if it is working correctly."""
# Toluene
print('########## Test with toluene ##########')
x = np.asarray([1.])
m = np.asarray([2.8149])
s = np.asarray([3.7169])
e = np.asarray([285.69])
ref = 33500. # source: DIPPR correlation
p = 90998. # source: reference equation of state from Polt, A.; Platzer, B.; Maurer, G., Parameter der thermischen Zustandsgleichung von Bender fuer 14 mehratomige reine Stoffe, Chem. Tech. (Leipzig), 1992, 44, 6, 216-224.
calc = pcsaft_Hvap(p, x, m, s, e, 380.)[0]
print('----- Enthalpy of vaporization at 380 K -----')
print(' Reference:', ref, 'J mol^-1')
print(' PC-SAFT:', calc, 'J mol^-1')
print(' Relative deviation:', (calc-ref)/ref*100, '%')
# Water
print('\n########## Test with water ##########')
m = np.asarray([1.2047])
e = np.asarray([353.95])
volAB = np.asarray([0.0451])
eAB = np.asarray([2425.67])
ref = 44761.23 # source: IAWPS95 EOS
p = 991.82 # source: IAWPS95 EOS
t = 280
s = np.asarray([2.7927 + 10.11*np.exp(-0.01775*t) - 1.417*np.exp(-0.01146*t)])
calc = pcsaft_Hvap(p, x, m, s, e, t, e_assoc=eAB, vol_a=volAB)[0]
print('----- Enthalpy of vaporization at 280 K -----')
print(' Reference:', ref, 'J mol^-1')
print(' PC-SAFT:', calc, 'J mol^-1')
print(' Relative deviation:', (calc-ref)/ref*100, '%')
# dimethyl ether
print('\n########## Test with dimethyl ether ##########')
m = np.asarray([2.2634])
s = np.asarray([3.2723])
e = np.asarray([210.29])
dpm = np.asarray([1.3])
dip_num = np.asarray([1.0])
ref = 17410. # source: DIPPR correlation
p = 937300. # source: DIPPR correlation
calc = pcsaft_Hvap(p, x, m, s, e, 315., dipm=dpm, dip_num=dip_num)[0]
print('----- Enthalpy of vaporization at 315 K -----')
print(' Reference:', ref, 'J mol^-1')
print(' PC-SAFT:', calc, 'J mol^-1')
print(' Relative deviation:', (calc-ref)/ref*100, '%')
return None