def test_Mixture_calculated_Vfs():
# Liquid standard fractions
S = Mixture(['hexane', 'decane'], zs=[0.25, 0.75])
Vfls = S.Vfls(298.16, 101326)
assert_close1d(Vfls, [0.18301434895886864, 0.8169856510411313], rtol=1e-3)
assert_close1d(S.Vfls(), [0.18301384717011993, 0.8169861528298801], rtol=1e-3)
assert_close1d(S.Vfls(P=1E6), [0.18292777184777048, 0.8170722281522296], rtol=1e-3)
assert_close1d(S.Vfls(T=299.15), [0.1830642468206885, 0.8169357531793114], rtol=1e-3)
# gas fractions
S = Mixture(['hexane', 'decane'], zs=[0.25, 0.75], T=699)
assert_close1d(S.Vfgs(700, 101326), [0.25, 0.75], rtol=1e-3)
assert_close1d(S.Vfgs(), [0.25, 0.75], rtol=1e-3)
assert_close1d(S.Vfgs(P=101326), [0.25, 0.75], rtol=1e-3)
assert_close1d(S.Vfgs(T=699), [0.25, 0.75], rtol=1e-3)
def test_Mixture_calculated_Vfs():
# Liquid standard fractions
S = Mixture(['hexane', 'decane'], zs=[0.25, 0.75])
Vfls = S.Vfls(298.16, 101326)
assert_allclose(Vfls, [0.18301434895886864, 0.8169856510411313])
assert_allclose(S.Vfls(), [0.18301384717011993, 0.8169861528298801])
assert_allclose(S.Vfls(P=1E6), [0.18292777184777048, 0.8170722281522296])
assert_allclose(S.Vfls(T=299.15), [0.1830642468206885, 0.8169357531793114])
# gas fractions
S = Mixture(['hexane', 'decane'], zs=[0.25, 0.75], T=699)
assert_allclose(S.Vfgs(700, 101326),
[0.251236709756207, 0.748763290243793])
assert_allclose(S.Vfgs(), [0.25124363058052673, 0.7487563694194732])
assert_allclose(S.Vfgs(P=101326), [0.2512436429605387, 0.7487563570394613])
assert_allclose(S.Vfgs(T=699), [0.25124363058052673, 0.7487563694194732])
def test_Mixture_calculated_Vfs():
# Liquid standard fractions
S = Mixture(['hexane', 'decane'], zs=[0.25, 0.75])
Vfls = S.Vfls(298.16, 101326)
assert_allclose(Vfls, [0.18299723912903532, 0.8170027608709647])
assert_allclose(S.Vfls(), [0.18299676086285419, 0.8170032391371459])
assert_allclose(S.Vfls(P=1E6), [0.18291966593930253, 0.8170803340606975])
assert_allclose(S.Vfls(T=299.15),
[0.18304482422114987, 0.8169551757788501])
# gas fractions
S = Mixture(['hexane', 'decane'], zs=[0.25, 0.75], T=699)
assert_allclose(S.Vfgs(700, 101326),
[0.251236709756207, 0.748763290243793])
assert_allclose(S.Vfgs(), [0.25124363058052673, 0.7487563694194732])
assert_allclose(S.Vfgs(P=101326), [0.2512436429605387, 0.7487563570394613])
assert_allclose(S.Vfgs(T=699), [0.25124363058052673, 0.7487563694194732])
def test_Mixture_input_basics():
# Run a test initializing a mixture from mole fractions, mass fractions,
# liquid fractions, gas fractions (liq/gas are with volumes of pure components at T and P)
kwargs = {'ws': [0.5, 0.5], 'zs': [0.7188789914193495, 0.2811210085806504],
'Vfls': [0.44054617180108374, 0.5594538281989162],
'Vfgs': [0.7188789914193495, 0.2811210085806504]}
for key, val in kwargs.items():
m = Mixture(['water', 'ethanol'], **{key:val})
assert_close1d(m.zs, kwargs['zs'], rtol=1E-6)
assert_close1d(m.zs, m.xs)
assert_close1d(m.Vfls(), kwargs['Vfls'], rtol=1E-5)
assert_close1d(m.Vfgs(), kwargs['Vfgs'])
def test_Mixture_input_np_array():
# numpy array inputs
IDs = ['pentane', 'hexane', 'heptane']
kwargs = {'ws': np.array([0.4401066297270966, 0.31540115235588945, 0.24449221791701395]),
'zs': np.array([.5, .3, .2]),
'Vfls': np.array([0.45711574619871703, 0.31076035223551646, 0.23212390156576654]),
'Vfgs': np.array([.5, .3, .2])}
for key, val in kwargs.items():
m = Mixture(IDs, **{key:val})
assert_close1d(m.zs, kwargs['zs'], rtol=1E-6)
assert_close1d(m.zs, m.xs)
assert_close1d(m.Vfls(), kwargs['Vfls'], rtol=1E-5)
assert_close1d(m.Vfgs(), kwargs['Vfgs'], rtol=2E-5)
def test_Mixture_input_ordered_dict():
# Ordered dict inputs
IDs = ['pentane', 'hexane', 'heptane']
kwargs = {'ws': [0.4401066297270966, 0.31540115235588945, 0.24449221791701395],
'zs': [.5, .3, .2],
'Vfls': [0.45711574619871703, 0.31076035223551646, 0.23212390156576654],
'Vfgs': [.5, .3, .2]}
for key, val in kwargs.items():
d = OrderedDict()
for i, j in zip(IDs, val):
d.update({i: j})
m = Mixture(**{key:d})
assert_close1d(m.zs, kwargs['zs'], rtol=1E-6)
assert_close1d(m.zs, m.xs)
assert_close1d(m.Vfls(), kwargs['Vfls'], rtol=1E-5)
assert_close1d(m.Vfgs(), kwargs['Vfgs'], rtol=2E-5)
def test_Mixture_input_forms():
# Run a test initializing a mixture from mole fractions, mass fractions,
# liquid fractions, gas fractions (liq/gas are with volumes of pure components at T and P)
kwargs = {
'ws': [0.5, 0.5],
'zs': [0.7188789914193495, 0.2811210085806504],
'Vfls': [0.44054617180108374, 0.5594538281989162],
'Vfgs': [0.7229421485513368, 0.2770578514486633]
}
for key, val in kwargs.items():
m = Mixture(['water', 'ethanol'], **{key: val})
assert_allclose(m.zs, kwargs['zs'], rtol=1E-6)
assert_allclose(m.zs, m.xs)
assert_allclose(m.Vfls(), kwargs['Vfls'], rtol=1E-5)
assert_allclose(m.Vfgs(), kwargs['Vfgs'])
with pytest.raises(Exception):
Mixture(['water', 'ethanol'])
Mixture(['water'], ws=[1], T=300, P=1E5)
def test_Mixture_input_forms():
# Run a test initializing a mixture from mole fractions, mass fractions,
# liquid fractions, gas fractions (liq/gas are with volumes of pure components at T and P)
kwargs = {
'ws': [0.5, 0.5],
'zs': [0.7188789914193495, 0.2811210085806504],
'Vfls': [0.44054617180108374, 0.5594538281989162],
'Vfgs': [0.7229421485513368, 0.2770578514486633]
}
for key, val in kwargs.items():
m = Mixture(['water', 'ethanol'], **{key: val})
assert_allclose(m.zs, kwargs['zs'], rtol=1E-6)
assert_allclose(m.zs, m.xs)
assert_allclose(m.Vfls(), kwargs['Vfls'], rtol=1E-5)
assert_allclose(m.Vfgs(), kwargs['Vfgs'])
# Ordered dict inputs
IDs = ['pentane', 'hexane', 'heptane']
kwargs = {
'ws': [0.4401066297270966, 0.31540115235588945, 0.24449221791701395],
'zs': [.5, .3, .2],
'Vfls':
[0.45711574619871703, 0.31076035223551646, 0.23212390156576654],
'Vfgs': [0.5127892380094016, 0.2979448661739439, 0.18926589581665448]
}
for key, val in kwargs.items():
d = OrderedDict()
for i, j in zip(IDs, val):
d.update({i: j})
m = Mixture(**{key: d})
assert_allclose(m.zs, kwargs['zs'], rtol=1E-6)
assert_allclose(m.zs, m.xs)
assert_allclose(m.Vfls(), kwargs['Vfls'], rtol=1E-5)
assert_allclose(m.Vfgs(), kwargs['Vfgs'], rtol=2E-5)
# numpy array inputs
IDs = ['pentane', 'hexane', 'heptane']
kwargs = {
'ws':
np.array(
[0.4401066297270966, 0.31540115235588945, 0.24449221791701395]),
'zs':
np.array([.5, .3, .2]),
'Vfls':
np.array(
[0.45711574619871703, 0.31076035223551646, 0.23212390156576654]),
'Vfgs':
np.array([0.5127892380094016, 0.2979448661739439, 0.18926589581665448])
}
for key, val in kwargs.items():
m = Mixture(IDs, **{key: val})
assert_allclose(m.zs, kwargs['zs'], rtol=1E-6)
assert_allclose(m.zs, m.xs)
assert_allclose(m.Vfls(), kwargs['Vfls'], rtol=1E-5)
assert_allclose(m.Vfgs(), kwargs['Vfgs'], rtol=2E-5)
with pytest.raises(Exception):
Mixture(['water', 'ethanol'])
Mixture(['water'], ws=[1], T=300, P=1E5)
Mixture('water', ws=[1], T=365).SGl
