def test_first_pure_substance_Coquelet2004():
eosname = "Coquelet, et al. (2004)"
subs = [benzene]
# subs = [benzene, isobutanol, cyclopentane]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
y = [1.0]
# y = [.2, .3, .5]
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.758728, 1e-4)
np.testing.assert_allclose(fvap, 4.04742471e05, 1e-5)
np.testing.assert_allclose(fliq, 2.72110834e04, 1e-5)
def test_first_pure_substance_RK1949():
eosname = "Redlich and Kwong (1949)"
subs = [benzene]
# subs = [benzene, isobutanol, cyclopentane]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
y = [1.0]
# y = [.2, .3, .5]
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.789930, 1e-4)
np.testing.assert_allclose(fvap, 4.14795536e05, 1e-5)
np.testing.assert_allclose(fliq, 4.72348414e04, 1e-5)
def test_first_pure_substance_MathiasCopeman1983():
eosname = "Mathias and Copeman (1983)"
subs = [benzene]
# subs = [benzene, isobutanol, cyclopentane]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
y = [1.0]
# y = [.2, .3, .5]
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.764750, 1e-4)
np.testing.assert_allclose(fvap, 4.06482412e05, 1e-5)
np.testing.assert_allclose(fliq, 3.08925741e04, 1e-5)
def test_first_pure_substance_vdW1890():
eosname = "van der Waals (1890)"
subs = [benzene]
# subs = [benzene, isobutanol, cyclopentane]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
y = [1.0]
# y = [.2, .3, .5]
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.869055, 1e-4)
np.testing.assert_allclose(fvap, 4.42619581e05, 1e-5)
np.testing.assert_allclose(fliq, 2.68466414e05, 1e-1)
def test_first_pure_substance_SV1986():
eosname = "Stryjek and Vera (1986)"
subs = [benzene]
# subs = [benzene, isobutanol, cyclopentane]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
y = [1.0]
# y = [.2, .3, .5]
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.757315, 1e-4)
np.testing.assert_allclose(fvap, 4.04338885e05, 1e-5)
np.testing.assert_allclose(fliq, 2.64221045e04, 1e-5)
def test_first_pure_substance_GasemTwu2001():
eosname = "Gasem, et al. Twu modification (2001)"
subs = [benzene]
# subs = [benzene, isobutanol, cyclopentane]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
y = [1.0]
# y = [.2, .3, .5]
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.758799, 1e-4)
np.testing.assert_allclose(fvap, 4.04762905e05, 1e-5)
np.testing.assert_allclose(fliq, 2.72516524e04, 1e-5)
def test_first_pure_substance_PatelAndTeja1982():
eosname = "Patel and Teja (1982)"
subs = [benzene]
# subs = [benzene, isobutanol, cyclopentane]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
y = [1.0]
# y = [.2, .3, .5]
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.760510, 1e-4)
np.testing.assert_allclose(fvap, 4.05451153e05, 1e-5)
np.testing.assert_allclose(fliq, 2.74252319e04, 1e-5)
def test_first_pure_substance_Adachi1985():
eosname = "Adachi, et al. (1985)"
subs = [benzene]
# subs = [benzene, isobutanol, cyclopentane]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
y = [1.0]
# y = [.2, .3, .5]
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.759439, 1e-4)
np.testing.assert_allclose(fvap, 4.05212335e05, 1e-5)
np.testing.assert_allclose(fliq, 2.65283163e04, 1e-5)
def test_first_pure_substance_Penelou82():
eosname = "Péneloux, et al. (1982)"
subs = [benzene]
# subs = [benzene, isobutanol, cyclopentane]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
y = [1.0]
# y = [.2, .3, .5]
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.76180662, 1e-4)
np.testing.assert_allclose(fvap, 406223.03952859, 1e-5)
np.testing.assert_allclose(fliq, 26623.35123666, 1e-5)
def test_first_pure_substance_PR1976():
eosname = "Peng and Robinson (1976)"
subs = [benzene]
y = [1.0]
# subs = [benzene, isobutanol, cyclopentane]
# y = [.2, .3, .5]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.759411, 1e-4)
np.testing.assert_allclose(fvap, 4.04938217e05, 1e-5)
np.testing.assert_allclose(fliq, 2.76022341e04, 1e-5)
def test_first_pure_substance_Wilson1964():
eosname = "Wilson (1964)"
subs = [benzene]
# subs = [benzene, isobutanol, cyclopentane]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
y = [1.0]
# y = [.2, .3, .5]
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.774546, 1e-4)
np.testing.assert_allclose(fvap, 4.10128953e05, 1e-5)
np.testing.assert_allclose(fliq, 3.36971456e04, 1e-5)
def test_first_pure_substance_Soave1972():
eosname = "Soave (1972)"
subs = [benzene]
# subs = [benzene, isobutanol, cyclopentane]
eos = createEOSMix(subs, eosname)
p = 0.5e6
t = 315
y = [1.0]
# y = [.2, .3, .5]
z = eos.getZfromPT(p, t, y)
zvap = np.max(z)
zliq = np.min(z)
phi_vap = np.zeros(len(eos.substances))
phi_liq = np.zeros(len(eos.substances))
for i in range(len(phi_liq)):
phi_vap[i] = eos.getPhi_i(i, y, p, t, zvap)
phi_liq[i] = eos.getPhi_i(i, y, p, t, zliq)
fvap = phi_vap[0] * p
fliq = phi_liq[0] * p
print("Z: ", z)
print("Phi_vap: ", phi_vap)
print("Phi_liq: ", phi_liq)
print("f_vap: ", phi_vap * p)
print("f_liq: ", phi_liq * p)
np.testing.assert_allclose(zvap, 0.763462, 1e-4)
np.testing.assert_allclose(fvap, 4.06896003e05, 1e-5)
np.testing.assert_allclose(fliq, 2.66674564e04, 1e-5)
def test_first_pure_substance_PR1976():
subs = [methane]
y = [1.0]
eosname = "Peng and Robinson (1976)"
mix = MixtureProp(subs, [1.0])
eoseq = EOS(mix, [[0]], eosname)
eos = createEOSMix(subs, eosname)
p = 1e5
t = 150
pref = 1e5
tref = 300
zs = eoseq.getZfromPT(p, t)
zliq = np.min(zs)
zvap = np.max(zs)
vliq, vvap = zliq * R_IG * t / p, zvap * R_IG * t / p
v_allProps = eoseq.getAllProps(tref, t, pref, p)
zs = eos.getZfromPT(p, t, y)
zliq = np.min(zs)
zvap = np.max(zs)
vliq, vvap = zliq * R_IG * t / p, zvap * R_IG * t / p
calc_allProps = eos.getAllProps(y, tref, t, pref, p)
i = 0
j = 1
# assert U
np.testing.assert_allclose(calc_allProps[i].Props.U, v_allProps[i].Props.U,
1e-5)
np.testing.assert_allclose(calc_allProps[j].Props.U, v_allProps[j].Props.U,
1e-5)
# assert H
np.testing.assert_allclose(calc_allProps[i].Props.H, v_allProps[i].Props.H,
1e-5)
np.testing.assert_allclose(calc_allProps[j].Props.H, v_allProps[j].Props.H,
1e-5)
# assert S
np.testing.assert_allclose(calc_allProps[i].Props.S, v_allProps[i].Props.S,
1e-5)
np.testing.assert_allclose(calc_allProps[j].Props.S, v_allProps[j].Props.S,
1e-5)
# assert G
np.testing.assert_allclose(calc_allProps[i].Props.G, v_allProps[i].Props.G,
1e-5)
np.testing.assert_allclose(calc_allProps[j].Props.G, v_allProps[j].Props.G,
1e-5)
# assert A
np.testing.assert_allclose(calc_allProps[i].Props.A, v_allProps[i].Props.A,
1e-5)
np.testing.assert_allclose(calc_allProps[j].Props.A, v_allProps[j].Props.A,
1e-5)
def test_bubblePoint():
subs = [hexane, cyclopentane]
vleEq = VLE(subs, eosname)
eq = createEOSMix(subs, eosname)
t = 300
p = 35640.78
x = [0.5, 0.5]
# pressure
y_e, pb_e, phivap, philiq, k, ite = vleEq.getBubblePointPressure(x, t)
y_c, pb_c, phivap, philiq, k, ite = eq.getBubblePointPressure(x, t)
np.testing.assert_allclose(pb_e, pb_c, 1e-2)
# temperature
y_e, tb_e, phivap, philiq, k, ite = vleEq.getBubblePointTemperature(x, p)
y_c, tb_c, phivap, philiq, k, ite = eq.getBubblePointTemperature(x, p)
np.testing.assert_allclose(tb_e, tb_c, 1e-2)
