def Ks(self, T, P, xs, ys, Psats):
gammas = self.gammas(T=T, xs=xs)
if self.use_phis:
phis_g = self.phis_g(T=T, P=P, ys=ys)
phis_l = self.phis_l(T=T, P=P, xs=xs)
# print(phis_l, phis_g, [i/j for i, j in zip(phis_l, phis_g)])
if self.use_Poynting:
Poyntings = self.Poyntings(T=T, P=P, Psats=Psats)
return [
K_value(P=P,
Psat=Psats[i],
gamma=gammas[i],
phi_l=phis_l[i],
phi_g=phis_g[i],
Poynting=Poyntings[i]) for i in self.cmps
]
return [
K_value(P=P,
Psat=Psats[i],
gamma=gammas[i],
phi_l=phis_l[i],
phi_g=phis_g[i]) for i in self.cmps
]
if self.use_Poynting:
Poyntings = self.Poyntings(T=T, P=P, Psats=Psats)
Ks = [
K_value(P=P,
Psat=Psats[i],
gamma=gammas[i],
Poynting=Poyntings[i]) for i in self.cmps
]
return Ks
Ks = [K_value(P=P, Psat=Psats[i], gamma=gammas[i]) for i in self.cmps]
return Ks
def flash_PVF_zs(self, P, VF, zs):
assert 0 <= VF <= 1
Tsats = self._Tsats(P)
T = brenth(self._P_VF_err,
min(Tsats) * (1 + 1E-7),
max(Tsats) * (1 - 1E-7),
args=(P, VF, zs))
Psats = self._Psats(T)
Ks = [K_value(P=P, Psat=Psat) for Psat in Psats]
V_over_F, xs, ys = flash_inner_loop(zs=zs, Ks=Ks)
return 'l/g', xs, ys, V_over_F, T
def flash_UNIFAC_sequential_substitution(T, P, zs, Psats, chemgroups):
gammas = UNIFAC(chemgroups=chemgroups, T=T, xs=zs)
Ks = [
K_value(P=P, Psat=Psat, gamma=gamma)
for Psat, gamma in zip(Psats, gammas)
]
V_over_F, xs, ys = flash_inner_loop(zs, Ks)
for i in range(100):
gammas = UNIFAC(chemgroups=chemgroups, T=T, xs=xs)
Ks = [
K_value(P=P, Psat=Psat, gamma=gamma)
for Psat, gamma in zip(Psats, gammas)
]
V_over_F, xs_new, ys_new = flash_inner_loop(zs, Ks)
err = (
sum([abs(x_new - x_old) for x_new, x_old in zip(xs_new, xs)]) +
sum([abs(y_new - y_old) for y_new, y_old in zip(ys_new, ys)]))
xs, ys = xs_new, ys_new
if err < 1E-11:
break
return V_over_F, xs, ys
def flash_TP_zs(self, T, P, zs):
Psats = self._Psats(T)
Pdew = dew_at_T(zs, Psats)
Pbubble = bubble_at_T(zs, Psats)
if P <= Pdew:
# phase, ys, xs, quality
return 'g', None, zs, 1
elif P >= Pbubble:
return 'l', zs, None, 0
else:
Ks = [K_value(P=P, Psat=Psat) for Psat in Psats]
V_over_F, xs, ys = flash_inner_loop(zs=zs, Ks=Ks)
return 'l/g', xs, ys, V_over_F
def flash_TVF_zs(self, T, VF, zs):
assert 0 <= VF <= 1
Psats = self._Psats(T)
if VF == 0:
P = bubble_at_T(zs, Psats)
elif VF == 1:
P = dew_at_T(zs, Psats)
else:
P = brenth(self._T_VF_err,
min(Psats) * (1 + 1E-7),
max(Psats) * (1 - 1E-7),
args=(VF, zs, Psats))
Ks = [K_value(P=P, Psat=Psat) for Psat in Psats]
V_over_F, xs, ys = flash_inner_loop(zs=zs, Ks=Ks)
return 'l/g', xs, ys, V_over_F, P
def _P_VF_err(self, T, P, VF, zs):
Psats = self._Psats(T)
Ks = [K_value(P=P, Psat=Psat) for Psat in Psats]
return flash_inner_loop(zs=zs, Ks=Ks)[0] - VF
def _T_VF_err(self, P, VF, zs, Psats):
Ks = [K_value(P=P, Psat=Psat) for Psat in Psats]
return flash_inner_loop(zs=zs, Ks=Ks)[0] - VF