def test_sres():
"""Test the residual entropy function to see if it is working correctly."""
print('------ 325 K ------')
print('\t\t\t PC-SAFT\t Reference')
t = 325 # K
p = 101325 # Pa
# all reference values are from PC-SAFT implemented in Aspen Plus
# Toluene ----------
x = np.asarray([1.])
m = np.asarray([2.8149])
s = np.asarray([3.7169])
e = np.asarray([285.69])
pyargs = {}
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='liq')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Toluene, liquid:\t\t', calc, -96.3692, 'J/mol/K')
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='vap')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Toluene, vapor:\t\t', calc, -0.71398, 'J/mol/K')
# Acetic acid ---------
m = np.asarray([1.3403])
s = np.asarray([3.8582])
e = np.asarray([211.59])
volAB = np.asarray([0.075550])
eAB = np.asarray([3044.4])
pyargs = {'e_assoc': eAB, 'vol_a': volAB}
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='liq')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Acetic acid, liquid:\t\t', calc, -98.1127, 'J/mol/K')
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='vap')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Acetic acid, vapor:\t\t', calc, -40.8743, 'J/mol/K')
# 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}
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='liq')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Butyl acetate, liquid:\t', calc, -108.9615, 'J/mol/K')
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='vap')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Butyl acetate, vapor:\t\t', calc, -1.0361, 'J/mol/K')
return None
def test_sres():
"""Test the residual entropy function to see if it is working correctly."""
print('------ 325 K ------')
print('\t\t\t PC-SAFT\t Reference')
t = 325 # K
p = 101325 # Pa
# all reference values are from PC-SAFT implemented in Aspen Plus
# Toluene ----------
x = np.asarray([1.])
m = np.asarray([2.8149])
s = np.asarray([3.7169])
e = np.asarray([285.69])
pyargs = {}
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='liq')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Toluene, liquid:\t\t', calc, -96.3692, 'J/mol/K')
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='vap')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Toluene, vapor:\t\t', calc, -0.71398, 'J/mol/K')
# Acetic acid ---------
m = np.asarray([1.3403])
s = np.asarray([3.8582])
e = np.asarray([211.59])
volAB = np.asarray([0.075550])
eAB = np.asarray([3044.4])
pyargs = {'e_assoc':eAB, 'vol_a':volAB}
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='liq')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Acetic acid, liquid:\t\t', calc, -98.1127, 'J/mol/K')
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='vap')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Acetic acid, vapor:\t\t', calc, -40.8743, 'J/mol/K')
# 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])
pyargs = {'dipm':dpm, 'dip_num':dip_num}
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='liq')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Dimethyl ether, liquid:\t', calc, -75.2232, 'J/mol/K')
den = pcsaft_den(x, m, s, e, t, p, pyargs, phase='vap')
calc = pcsaft_sres(x, m, s, e, t, den, pyargs)
print('Dimethyl ether, vapor:\t\t', calc, -0.17854, 'J/mol/K')
return None