def test_nichita_problem_5(model, expected_phase_split):
P = convert_bar_to_Pa(76)
T = 270
result = stability_test(model, P, T, model.mixture.z)
assert result.phase_split == expected_phase_split
def test_nichita_problem_2(model, pressure, expected_phase_split):
P = convert_bar_to_Pa(pressure)
T = 277.6
result = stability_test(model, P, T, model.mixture.z)
assert result.phase_split == expected_phase_split
def test_nichita_problem_5(model, expected_phase_split):
P = convert_bar_to_Pa(76)
T = 270
result = stability_test(model,
P,
T,
model.mixture.z,
solver_args=PygmoSelfAdaptiveDESettings(20,
500,
seed=seed))
assert result.phase_split == expected_phase_split
def test_equilibrium_nichita_ternary_mixture_phase_fractions(
mixture_nichita_ternary, model_nichita_ternary):
T = 294.3
P = convert_bar_to_Pa(67)
z = mixture_nichita_ternary.z
expected_F = np.sort(np.array([0.5645, 0.2962, 0.1393]))
result = calculate_equilibrium(model_nichita_ternary,
P,
T,
z,
number_of_trial_phases=3,
compare_trial_phases=False,
solver_args=PygmoSelfAdaptiveDESettings(
20, 500, seed=seed))
phase_fraction_sorted = np.sort(result.F)
relative_l2_norm = la.norm(phase_fraction_sorted -
expected_F) / la.norm(expected_F)
assert relative_l2_norm < 1.5e-1
def test_equilibrium_nichita_ternary_mixture_composition(
mixture_nichita_ternary, model_nichita_ternary):
T = 294.3
P = convert_bar_to_Pa(67)
z = mixture_nichita_ternary.z
expected_y = np.array([0.078112, 0.000069, 0.921819])
expected_x1 = np.array([0.036181, 0.340224, 0.623595])
expected_x2 = np.array([0.038707, 0.004609, 0.956683])
result = calculate_equilibrium(model_nichita_ternary,
P,
T,
z,
number_of_trial_phases=3,
compare_trial_phases=False,
solver_args=PygmoSelfAdaptiveDESettings(
10, 350, seed=seed))
for expected_composition in [expected_y, expected_x1, expected_x2]:
expected_norm = la.norm(expected_composition)
assert any(
la.norm(composition - expected_composition) / expected_norm < 5e-2
for composition in result.X)
def test_bar_to_Pa(P_in_bar, P_in_Pa):
assert convert_bar_to_Pa(P_in_bar) == pytest.approx(P_in_Pa, rel=1e-3)
