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# # print(' Relative deviation:', (calc-ref)/ref*100, '%')
# 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])
cnsts = np.asarray([57431., 94494, 895.51, 65065, 2467.4]) # constants for Aly-Lee equation (obtained from DIPPR)
pyargs = {'m':m, 's':s, 'e':e, 'dipm':dpm, 'dip_num':dip_num}
ref = 102.2 # source: DIPPR correlation
p = 100000.
t = 240.
rho = pcsaft_den(t, p, x, pyargs, phase='liq')
calc = pcsaft_cp(t, rho, cnsts, x, pyargs)
if print_result:
print('\n########## Test with dimethyl ether ##########')
print('----- Heat capacity at 240 K -----')
print(' Reference:', ref, 'J mol^-1 K^-1')
print(' PC-SAFT:', calc, 'J mol^-1 K^-1')
print(' Relative deviation:', (calc-ref)/ref*100, '%')
assert abs((calc-ref)/ref*100) < 3
print(' Relative deviation:', (calc-ref)/ref*100, '%')
assert abs((calc-ref)/ref*100) < 3
# Toluene
x = np.asarray([1.])
m = np.asarray([2.8149])
s = np.asarray([3.7169])
e = np.asarray([285.69])
cnsts = np.asarray([58140., 286300, 1440.6, 189800, 650.43]) # constants for Aly-Lee equation (obtained from DIPPR)
pyargs = {'m':m, 's':s, 'e':e}
ref = 179.79 # source: Equation of state from Polt et al. (1992) (available at https://webbook.nist.gov/chemistry/fluid/)
p = 100000.
t = 370.
rho = pcsaft_den(t, p, x, pyargs, phase='liq')
calc = pcsaft_cp(t, rho, cnsts, x, pyargs)
if print_result:
print('\n########## Test with toluene ##########')
print('----- Heat capacity at 370 K -----')
print(' Reference:', ref, 'J mol^-1 K^-1')
print(' PC-SAFT:', calc, 'J mol^-1 K^-1')
print(' Relative deviation:', (calc-ref)/ref*100, '%')
assert abs((calc-ref)/ref*100) < 3
# # Acetic acid
# # print('\n########## Test with 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])
# cnsts = np.asarray([40200., 136750, 1262, 70030, 569.7]) # constants for Aly-Lee equation (obtained from DIPPR)
def test_cp(print_result=False):
"""Test the heat capacity function to see if it is working correctly."""
# Benzene
x = np.asarray([1.])
m = np.asarray([2.4653])
s = np.asarray([3.6478])
e = np.asarray([287.35])
cnsts = np.asarray([55238., 173380, 764.25, 72545, 2445.7]) # constants for Aly-Lee equation (obtained from DIPPR)
pyargs = {'m':m, 's':s, 'e':e}
ref = 140.78 # source: Equation of state from Polt et al. (1992) (available at https://webbook.nist.gov/chemistry/fluid/)
p = 100000.
t = 330.
rho = pcsaft_den(t, p, x, pyargs, phase='liq')
calc = pcsaft_cp(t, rho, cnsts, x, pyargs)
if print_result:
print('\n########## Test with benzene ##########')
print('----- Heat capacity at 330 K -----')
print(' Reference:', ref, 'J mol^-1 K^-1')
print(' PC-SAFT:', calc, 'J mol^-1 K^-1')
print(' Relative deviation:', (calc-ref)/ref*100, '%')
assert abs((calc-ref)/ref*100) < 3
# Toluene
x = np.asarray([1.])
m = np.asarray([2.8149])
s = np.asarray([3.7169])
e = np.asarray([285.69])
cnsts = np.asarray([58140., 286300, 1440.6, 189800, 650.43]) # constants for Aly-Lee equation (obtained from DIPPR)
pyargs = {'m':m, 's':s, 'e':e}