#!/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 scipy.constants import R
from lib import unidades
from lib.EoS.Cubic import SRK
[docs]
class SRKPeneloux(SRK):
r"""Equation of state of Soave-Redlich-Kwong (1972) with volume translation
as define by Peneloux et al. [1]_
.. math::
\begin{array}[t]{l}
P = \frac{RT}{V-b}-\frac{a}{(V+b)\left(V+b+2c\right)}\\
a = 0.42747\frac{R^2T_c^2}{P_c}\alpha\\
b = 0.08664\frac{RT_c}{P_c}\\
\alpha^{0.5} = 1 + m\left(1-Tr^{0.5}\right)\\
m = 0.48 + 1.574\omega-0.176\omega^2\\
c = 0.40768 \frac{RT_c}{P_c} \left(0.29441-z_{RA}\right)\\
\end{array}
Examples
--------
Example 4.3 from [2]_, Propane saturated at 300K
>>> from lib.mezcla import Mezcla
>>> mix = Mezcla(5, ids=[4], caudalMolar=1, fraccionMolar=[1])
>>> eq = SRKPeneloux(300, 9.9742e5, mix)
>>> '%0.1f' % (eq.Vl.ccmol)
'93.1'
>>> eq = SRKPeneloux(300, 42.477e5, mix)
>>> '%0.1f' % (eq.Vg.ccmol)
'89.7'
# Tiny desviation
'2061 94.2'
'90.6'
"""
__title__ = "SRK-Peneloux (1982)"
__status__ = "SRKPeneloux"
__doi__ = (
{
"autor": "Péneloux, A., Rauzy, E., Fréze, R.",
"title": "A Consistent Correction for Redlich-Kwong-Soave Volumes",
"ref": "Fluid Phase Equilibria 8 (1982) 7-23",
"doi": "10.1016/0378-3812(82)80002-2"},
{
"autor": "Poling, B.E, Prausnitz, J.M, O'Connell, J.P",
"title": "The Properties of Gases and Liquids 5th Edition",
"ref": "McGraw-Hill, New York, 2001",
"doi": ""})
[docs]
def _volumeCorrection(self):
"""Apply volume correction to the rhoL property"""
c = 0
for cmp, x in zip(self.componente, self.xi):
c += 0.40768*R*cmp.Tc/cmp.Pc*(0.29441-cmp.rackett) # 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 = SRKPeneloux(300, 9.9742e5, mix)
print('%0.1f' % (eq.Vl.ccmol))
eq = SRKPeneloux(300, 42.477e5, mix)
print('%0.1f' % (eq.Vg.ccmol))
