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_gen_data_and_plot():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Peng and Robinson (1976)"
eos = EOS(sglmethae, k, eosname)
ti_f = [methane.Tfp, methane.Tc]
Pref = 1e5
Tref = 300
points = 30
gen_data_results = gen_data(eos, ti_f, Pref, Tref, points)
rl, rv, cp, pv_isotherms = list(gen_data_results)
def test_check_fugacity_single_substance():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Peng and Robinson (1976)"
eos = EOS(sglmethae, k, eosname)
T, Tref = 150, 300
P, Pref = 2e5, 1e5
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zliq, zvap = np.min(zs), np.max(zs)
vliq, vvap = np.min(vs), np.max(vs)
fl = eos.getFugacity(P, T, vliq, zliq)
fv = eos.getFugacity(P, T, vvap, zvap)
np.testing.assert_allclose(fl, 8.58224011e5, 1e-3)
np.testing.assert_allclose(fv, 1.93892612e5, 1e-3)
def test_get_AllProps_single_subs():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Peng and Robinson (1976)"
eos = EOS(sglmethae, k, eosname)
T, Tref = 150, 300
P, Pref = 2e5, 1e5
pliq, pvap = eos.getAllProps(Tref, T, Pref, P)
expected_pliq = DeltaProp(
32.669700, -1.224694e04, -89.121399, 1114.993043, -9766.360987, 3595.576453
)
expected_pvap = DeltaProp(
32.669700, -5141.843232, -29.385790, -740.247025, -3860.999697, 540.596510
)
assert expected_pliq.isEqual(pliq.Props)
assert expected_pvap.isEqual(pvap.Props)
def test_gasem_et_al_twu_2001_z_and_v():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Gasem, et al. Twu modificaton (2001)"
eos = EOS(sglmethae, k, eosname)
T, P = 150, 1e5
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zliq, zvap = np.min(zs), np.max(zs)
vliq, vvap = np.min(vs), np.max(vs)
zliq_expected = 3.342205e-03
zvap_expected = 0.984478
vliq_expected = 4.168295e-05
vvap_expected = 0.012278
np.testing.assert_allclose(zliq_expected, zliq, 1e-3)
np.testing.assert_allclose(zvap_expected, zvap, 1e-3)
np.testing.assert_allclose(vliq_expected, vliq, 1e-3)
np.testing.assert_allclose(vvap_expected, vvap, 1e-3)
def test_ahlers_gmehling_2001_z_and_v():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Ahlers-Gmehling (2001)"
eos = EOS(sglmethae, k, eosname)
T, P = 150, 1e5
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zliq, zvap = np.min(zs), np.max(zs)
vliq, vvap = np.min(vs), np.max(vs)
zliq_expected = 3.246340e-03
zvap_expected = 0.984434
vliq_expected = 4.048736e-05
vvap_expected = 0.012278
np.testing.assert_allclose(zliq_expected, zliq, 1e-1)
np.testing.assert_allclose(zvap_expected, zvap, 1e-1)
np.testing.assert_allclose(vliq_expected, vliq, 1e-1)
np.testing.assert_allclose(vvap_expected, vvap, 1e-1)
def test_twu_et_al_1995_z_and_v():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Twu, et al. (1995)"
eos = EOS(sglmethae, k, eosname)
T, P = 150, 1e5
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zliq, zvap = np.min(zs), np.max(zs)
vliq, vvap = np.min(vs), np.max(vs)
zliq_expected = 3.340153e-03
zvap_expected = 0.984468
vliq_expected = 4.165737e-05
vvap_expected = 0.012278
np.testing.assert_allclose(zliq_expected, zliq, 1e-3)
np.testing.assert_allclose(zvap_expected, zvap, 1e-3)
np.testing.assert_allclose(vliq_expected, vliq, 1e-3)
np.testing.assert_allclose(vvap_expected, vvap, 1e-3)
def test_adachi_et_al_1985_z_and_v():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Adachi, et al. (1985)"
eos = EOS(sglmethae, k, eosname)
T, P = 150, 1e5
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zliq, zvap = np.min(zs), np.max(zs)
vliq, vvap = np.min(vs), np.max(vs)
zliq_expected = 3.751563e-03
zvap_expected = 0.985276
vliq_expected = 4.678834e-05
vvap_expected = 0.012288
np.testing.assert_allclose(zliq_expected, zliq, 1e-3)
np.testing.assert_allclose(zvap_expected, zvap, 1e-3)
np.testing.assert_allclose(vliq_expected, vliq, 1e-3)
np.testing.assert_allclose(vvap_expected, vvap, 1e-3)
def test_soave_1984_z_and_v():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Soave (1984)"
eos = EOS(sglmethae, k, eosname)
T, P = 150, 1e5
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zliq, zvap = np.min(zs), np.max(zs)
vliq, vvap = np.min(vs), np.max(vs)
zliq_expected = 3.745608e-03
zvap_expected = 0.985554
vliq_expected = 4.671407e-05
vvap_expected = 0.012292
np.testing.assert_allclose(zliq_expected, zliq, 1e-3)
np.testing.assert_allclose(zvap_expected, zvap, 1e-3)
np.testing.assert_allclose(vliq_expected, vliq, 1e-3)
np.testing.assert_allclose(vvap_expected, vvap, 1e-3)
def test_patel_and_teja_1982_z_and_v():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Patel and Teja (1982)"
eos = EOS(sglmethae, k, eosname)
T, P = 150, 1e5
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zliq, zvap = np.min(zs), np.max(zs)
vliq, vvap = np.min(vs), np.max(vs)
zliq_expected = 3.710877e-03
zvap_expected = 0.985335
vliq_expected = 4.628092e-05
vvap_expected = 0.012289
np.testing.assert_allclose(zliq_expected, zliq, 1e-3)
np.testing.assert_allclose(zvap_expected, zvap, 1e-3)
np.testing.assert_allclose(vliq_expected, vliq, 1e-3)
np.testing.assert_allclose(vvap_expected, vvap, 1e-3)
def test_peneloux_et_al_1982_z_and_v():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Péneloux, et al. (1982)"
eos = EOS(sglmethae, k, eosname)
T, P = 150, 1e5
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zliq, zvap = np.min(zs), np.max(zs)
vliq, vvap = np.min(vs), np.max(vs)
zliq_expected = 3.710726e-03
zvap_expected = 0.985443
vliq_expected = 4.627903e-05
vvap_expected = 0.012290
np.testing.assert_allclose(zliq_expected, zliq, 1e-3)
np.testing.assert_allclose(zvap_expected, zvap, 1e-3)
np.testing.assert_allclose(vliq_expected, vliq, 1e-3)
np.testing.assert_allclose(vvap_expected, vvap, 1e-3)
def test_wilson_1964_z_and_v():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Wilson (1964)"
eos = EOS(sglmethae, k, eosname)
T, P = 150, 1e5
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zliq, zvap = np.min(zs), np.max(zs)
vliq, vvap = np.min(vs), np.max(vs)
zliq_expected = 3.765280e-03
zvap_expected = 0.985347
vliq_expected = 4.695941e-05
vvap_expected = 0.012289
np.testing.assert_allclose(zliq_expected, zliq, 1e-3)
np.testing.assert_allclose(zvap_expected, zvap, 1e-3)
np.testing.assert_allclose(vliq_expected, vliq, 1e-3)
np.testing.assert_allclose(vvap_expected, vvap, 1e-3)
def test_redlich_and_kwong_1949_z_and_v():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Redlich and Kwong (1949)"
eos = EOS(sglmethae, k, eosname)
T, P = 150, 1e5
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zliq, zvap = np.min(zs), np.max(zs)
vliq, vvap = np.min(vs), np.max(vs)
zliq_expected = 3.759408e-03
zvap_expected = 0.985316
vliq_expected = 4.688618e-05
vvap_expected = 0.012289
np.testing.assert_allclose(zliq_expected, zliq, 1e-3)
np.testing.assert_allclose(zvap_expected, zvap, 1e-3)
np.testing.assert_allclose(vliq_expected, vliq, 1e-3)
np.testing.assert_allclose(vvap_expected, vvap, 1e-3)
def test_vanderwalls_z_and_v():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "van der Waals (1890)"
eos = EOS(sglmethae, k, eosname)
T, P = 150, 1e5
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zliq, zvap = np.min(zs), np.max(zs)
vliq, vvap = np.min(vs), np.max(vs)
zliq_expected = 0.005463
zvap_expected = 0.9885
vliq_expected = 0.00006813
vvap_expected = 0.01233
np.testing.assert_allclose(zliq_expected, zliq, 1e-2)
np.testing.assert_allclose(zvap_expected, zvap, 1e-2)
np.testing.assert_allclose(vliq_expected, vliq, 1e-2)
np.testing.assert_allclose(vvap_expected, vvap, 1e-2)
def test_EOSPuresubstancesInterface_PR1976():
eosname = "Peng and Robinson (1976)"
subs = [methane]
y = [1.0]
k = [[0]]
p = 1e5
t = 150
# test Z
eos_PSI = EOSPureSubstanceInterface(subs, eosname)
eos_old = EOS(MixtureProp(subs, [1.0]), k, eosname)
zsPSI = eos_PSI.getZfromPT(p, t)
zs_old = eos_old.getZfromPT(p, t)
np.testing.assert_allclose(np.min(zs_old), np.min(zsPSI), 1e-5)
np.testing.assert_allclose(np.max(zs_old), np.max(zsPSI), 1e-5)
# test pvp
pvp_aw = subs[0].getPvpAW(t)
pvp_old = eos_old.getPvp(t, pvp_aw)[0]
pvp_PSI = eos_PSI.getPvp(t, pvp_aw)[0]
np.testing.assert_allclose(pvp_PSI, pvp_old, 1e-5)
def test_Props_for_single_compound_peng_and_robinson():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Peng and Robinson (1976)"
eos = EOS(sglmethae, k, eosname)
P, T = 1e5, 150
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zmin, zmax = np.min(zs), np.max(zs)
vmin, vmax = np.min(vs), np.max(vs)
PvpAW = eos.mix.substances[0].getPvpAW(T)
pvp_expected = 10.47 * 1e5 # Pa
pvp_returned = eos.getPvp(T, PvpAW)[0]
assert eosname == eos.getEOSDisplayName()
np.testing.assert_allclose(0.9845, zmax, 1e-2)
np.testing.assert_allclose(0.003341, zmin, 1e-2)
np.testing.assert_allclose(0.01228, vmax, 1e-2)
np.testing.assert_allclose(0.00004167, vmin, 1e-2)
np.testing.assert_allclose(P, eos.getP(vmax, T), 1e-3)
np.testing.assert_allclose(P, eos.getP(vmin, T), 1e-3)
np.testing.assert_allclose(pvp_expected, pvp_returned, 1e-3)
# check equilibrium
P, T = pvp_returned, 150
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zmin, zmax = np.min(zs), np.max(zs)
vmin, vmax = np.min(vs), np.max(vs)
fl = eos.getFugacity(P, T, vmin, zmin)
fv = eos.getFugacity(P, T, vmax, zmax)
np.testing.assert_allclose(fl, fv, 1e-3)
# check all properties #
Tref, T, Pref, P = 300, 150, 1e5, 2e5
assert methane.hasCp()
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zsref = eos.getZfromPT(Pref, Tref)
vsref = eos.getVfromPT(Pref, Tref)
zliq, zvap, vliq, vvap = np.min(zs), np.max(zs), np.min(vs), np.max(vs)
zliqref, zvapref, vliqref, vvapref = (
np.min(zsref),
np.max(zsref),
np.min(vsref),
np.max(vsref),
)
igprop = methane.getIGProps(Tref, T, Pref, P)
ddp_liq = eos.getDeltaDepartureProps(Pref, Tref, vliqref, zliqref, P, T, vliq, zliq)
ddp_vap = eos.getDeltaDepartureProps(Pref, Tref, vvapref, zvapref, P, T, vvap, zvap)
pliq = igprop.subtract(ddp_liq)
pvap = igprop.subtract(ddp_vap)
expected_pliq = DeltaProp(
32.669700, -1.224694e04, -89.121399, 1114.993043, -9766.360987, 3595.576453
)
expected_pvap = DeltaProp(
32.669700, -5141.843232, -29.385790, -740.247025, -3860.999697, 540.596510
)
assert pliq.isEqual(expected_pliq)
assert pvap.isEqual(expected_pvap)
p2liq, p2vap = eos.getCpHSGUA(Tref, T, Pref, P)
assert p2liq.isEqual(expected_pliq)
assert p2vap.isEqual(expected_pvap)
import numpy as np
from Sindri.Properties import DeltaProp
from Sindri.compounds import MixtureProp, SubstanceProp
from Sindri.eos import EOS
methane = SubstanceProp("methane", "CH4")
water = SubstanceProp("water", "H2O")
dblmethae = MixtureProp([methane, methane], [0.3, 0.7])
sglmethae = MixtureProp([methane], [1.0])
def test_class_constructor():
k = [[0, 0], [0, 0]]
eosname = "Peng and Robinson (1976)"
eos = EOS(dblmethae, k, eosname)
def test_Props_for_single_compound_peng_and_robinson():
k = [[0]]
sglmethae = MixtureProp([methane], [1.0])
eosname = "Peng and Robinson (1976)"
eos = EOS(sglmethae, k, eosname)
P, T = 1e5, 150
zs = eos.getZfromPT(P, T)
vs = eos.getVfromPT(P, T)
zmin, zmax = np.min(zs), np.max(zs)
vmin, vmax = np.min(vs), np.max(vs)
PvpAW = eos.mix.substances[0].getPvpAW(T)
pvp_expected = 10.47 * 1e5 # Pa