#!/usr/bin/python3
# -*- coding: utf-8 -*-
r"""Pychemqt, Chemical Engineering Process simulator
Copyright (C) 2009-2025, Juan José Gómez Romera <jjgomera@gmail.com>
This program is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>."""
from math import exp
from scipy.constants import R
from lib import unidades
from lib.EoS.Cubic import PR78
dat = {
2: (-0.59970, -12.09400),
3: (-0.29550, -14.93840),
4: (-0.21240, -14.82030),
6: (-0.13320, -15.82780),
8: (-0.07520, -17.50000),
10: (-0.00510, -19.36890),
11: (0.00740, -19.63760),
12: (0.05260, -21.08080),
13: (0.07550, -22.27520),
14: (0.08380, -23.07570),
15: (0.10990, -26.80350),
16: (0.10990, -26.80350),
24: (-0.20500, -16.00870),
5: (-0.18380, -15.48850),
25: (-0.11930, -17.21510),
26: (-0.15940, -16.61190),
7: (-0.08400, -17.81840),
36: (-0.13870, -16.91350),
38: (-0.13870, -16.91350),
100: (-0.11930, -17.21510),
645: (0.18086, -25.50000),
220: (-0.12570, -16.95870),
216: (-0.18240, -16.29710),
217: (-0.28070, -15.09170),
215: (-0.23950, -15.59130),
636: (-0.26540, -15.73780),
218: (-0.24880, -15.90000),
642: (-0.10340, -17.44440),
643: (0.06780, -21.37850),
232: (-0.18050, -16.27380),
231: (-0.18040, -16.38390),
229: (-0.13730, -19.00000),
236: (-0.29510, -15.38060),
# 1631: (-0.06320, -18.61910),
# 1630: (-0.10810, -18.05000),
# 1629: (-0.04860, -19.24500),
# 1231: (-0.07480, -17.98790),
# 1235: (-0.12380, -17.46360),
1001: (0.03360, -21.33390),
# 1633: (-0.11220, -17.54060),
241: (-0.03780, -18.74630),
243: (0.08890, -22.50000),
245: (0.11150, -23.14840),
671: (-0.32250, -15.18110),
# 1,1,1,2,3,3,3-Hepta-fluoroethane: (-0.01990, -19.41640),
# 1,1,1,3,3-Penta-fluoroethane: (-0.04360, -19.11100),
# 1,1,2,2,3-Penta-fluoroethane: (-0.08560, -17.80890),
# 1,1,1,2,3,3-Penta-fluoroethane: (-0.19980, -16.07300),
# 1873: (-0.04130, -18.82970),
225: (0.13670, -26.75710),
692: (-0.24370, -15.55100),
112: (-0.95420, -10.88110),
119: (-0.01330, -19.32650),
440: (-0.01330, -19.32650),
22: (-0.23010, -15.70700),
57: (-0.10100, -17.51680),
23: (-0.18150, -16.31030),
58: (-0.03890, -18.72320),
28: (-0.08400, -17.81840),
27: (-0.18150, -16.31030),
29: (-0.08400, -17.81840),
30: (-0.10150, -15.31780),
31: (-0.21740, -15.10380),
35: (-0.01330, -19.32650),
56: (0.01950, -20.23130),
83: (0.06870, -22.04110),
367: (0.10670, -24.15240),
452: (-0.18150, -16.31030),
41: (-0.00160, -19.62810),
45: (0.00920, -19.92970),
43: (0.04650, -21.13620),
42: (0.00920, -19.92970),
44: (0.03800, -20.83460),
71: (0.01950, -20.23130),
470: (0.12180, -25.35890),
98: (-0.79760, -11.57240),
994: (-0.56390, -12.99720),
46: (-0.74680, -11.96970),
47: (-0.63680, -12.43320),
208: (-0.65000, -12.41490),
105: (-0.41900, -13.19250),
99: (-0.59360, -12.69080),
49: (-0.16000, -16.43410),
102: (-0.36530, -17.24100),
48: (-1.10870, -10.27790),
51: (-0.06800, -18.12000),
111: (0.06870, -22.04110),
63: (0.14910, -26.07030),
62: (0.19940, -30.05360),
101: (-0.50110, -13.29410),
178: (0.02900, -20.53300)}
[docs]
class PRLinDuan(PR78):
r"""Volume translation modification for Peng-Robinson equation of state by
Lin and Duan, [1]_, in this equation the volumen translation is
temperature-dependent
.. math::
\begin{array}[t]{l}
P = \frac{RT}{V+c-b}-\frac{a}{(V+c)^2 + 2b\left(V+c\right) - b}\\
a = 0.45724\frac{R^2T_c^2}{P_c}\alpha\\
b = 0.0778\frac{RT_c}{P_c}\\
\alpha^{0.5} = 1 + m\left(1-Tr^{0.5}\right)\\
m = 0.37464 + 1.54226\omega - 0.26992\omega^2\\
c = c_cf\left(T_r\right)\\
c_c = \left(0.3074-Z_c\right)\frac{RT_c}{P_c}\\
f\left(T_r\right) = \beta + \left(1-\beta\right)
\exp\left(\gamma\left|1-T_r\right|\right)\\
\end{array}
β and γ are compounds specific parameters fitted to experimental density
data, if no available the paper give generalized correlation for this
.. math::
\begin{array}[t]{l}
\beta = -2.8431\exp\left(-64.2184(0.3074-Z_c\right) + 0.1735\\
\gamma = -99.2558 + 301.6201Z_c\\
\end{array}
"""
__title__ = "SRK-Peneloux (1982)"
__status__ = "SRKPeneloux"
__doi__ = {
"autor": "Lin, H., Duan, Y.-Y.",
"title": "Empirical Correction to the Peng-Robinson Equation of "
"State for the Saturated Region",
"ref": "Fluid Phase Equilibria 233 (2005) 194-203",
"doi": "10.1016/j.fluid.2005.05.008"},
[docs]
def _volumeCorrection(self):
"""Apply volume correction to the rhoL property"""
c = 0
for cmp, x in zip(self.componente, self.xi):
if cmp.id in dat:
b, g = dat[cmp.id]
else:
# Generalized correlation
b = -2.8431*exp(-64.2184*(0.3074-self.Zc))+0.1735 # Eq 12
g = -99.2558+301.6201*self.Zc # Eq 13
Tr = self.T/cmp.Tc
f = b+(1-b)*exp(g*abs(1-Tr)) # Eq 10
cc = (0.3074-cmp.Zc)*R*cmp.Tc/cmp.Pc # Eq 9
c += cc * f # Eq 8
if self.rhoL:
v = self.Vl.m3mol-c
self.rhoL = unidades.MolarDensity(1/v, "molm3")
self.Vl = unidades.MolarVolume(v, "m3mol")
if self.rhoG:
v = self.Vg.m3mol-c
self.rhoG = unidades.MolarDensity(1/v, "molm3")
self.Vg = unidades.MolarVolume(v, "m3mol")
if __name__ == "__main__":
from lib.mezcla import Mezcla
mix = Mezcla(5, ids=[4], caudalMolar=1, fraccionMolar=[1])
eq = PRLinDuan(300, 9.9742e5, mix)
print('%0.1f' % (eq.Vl.ccmol))
eq = PRLinDuan(300, 42.477e5, mix)
print('%0.1f' % (eq.Vg.ccmol))
