def _flash_sequential_substitution_TP(self, T, P, zs, Psats=None, restart=None): Psats = self._Psats(Psats=Psats, T=T) if self.retention and restart: V_over_F, xs, ys = restart else: Ks = self.Ks(T, P, zs, zs, Psats) V_over_F, xs, ys = flash_inner_loop(zs, Ks) for i in range(100): if any(i < 0 for i in xs): xs = zs if any(i < 0 for i in ys): ys = zs Ks = self.Ks(T, P, xs, ys, Psats) 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-7: break return V_over_F, xs, ys
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_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_sequential_substitution_TP(self, T, P, zs, Psats=None, restart=None): Psats = self._Psats(Psats=Psats, T=T) if self.retention and restart: V_over_F, xs, ys = restart else: Ks = self.Ks(T, P, zs, zs, Psats) V_over_F, xs, ys = flash_inner_loop(zs, Ks) for i in range(100): if any(i < 0 for i in xs): xs = zs if any(i < 0 for i in ys): ys = zs Ks = self.Ks(T, P, xs, ys, Psats) 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-7: break return V_over_F, xs, ys
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_PVF_zs(self, P, VF, zs): assert 0 <= VF <= 1 Tsats = self._Tsats(P) # handle one component if self.N == 1: return 'l/g', [1.0], [1.0], VF, Tsats[0] 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_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 flash_TVF_zs(self, T, VF, zs): assert 0 <= VF <= 1 Psats = self._Psats(T) # handle one component if self.N == 1: return 'l/g', [1.0], [1.0], VF, Psats[0] 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 flash_TP_zs(self, T, P, zs): Psats = self._Psats(T) if self.N == 1: Pdew = Pbubble = Psats[0] else: Pdew = dew_at_T(zs, Psats) Pbubble = bubble_at_T(zs, Psats) if P <= Pdew: # phase, ys, xs, quality - works for 1 comps too 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 _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
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