How to use the pcsaft.pcsaft_hres function in pcsaft
To help you get started, we’ve selected a few pcsaft examples, based on popular ways it is used in public projects.
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zmeri / PC-SAFT / tests / test_cython.py View on Github 
# Toluene ----------
x = np.asarray([1.])
m = np.asarray([2.8149])
s = np.asarray([3.7169])
e = np.asarray([285.69])
pyargs = {'m':m, 's':s, 'e':e}
den = pcsaft_den(t, p, x, pyargs, phase='liq')
ref = -36809.39 # J mol^-1
calc = pcsaft_hres(t, den, x, pyargs)
if print_result:
print('Toluene, liquid:\t\t', calc, ref, (calc-ref)/ref*100, 'J/mol')
assert abs((calc-ref)/ref*100) < 1e-2
den = pcsaft_den(t, p, x, pyargs, phase='vap')
ref = -362.6777 # J mol^-1
calc = pcsaft_hres(t, den, x, pyargs)
if print_result:
print('Toluene, vapor:\t\t', calc, ref, (calc-ref)/ref*100, 'J/mol')
assert abs((calc-ref)/ref*100) < 1e-2
# 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 = {'m':m, 's':s, 'e':e, 'e_assoc':eAB, 'vol_a':volAB}
den = pcsaft_den(t, p, x, pyargs, phase='liq')
ref = -38924.64 # J mol^-1
calc = pcsaft_hres(t, den, x, pyargs)
if print_result:pcsaft
The PC-SAFT equation of state, including dipole, association and ion terms.
