#!/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 lib.EoS.Cubic.SRK import SRK
# Table 8D1.2
S1 = {
62: 1.243997,
63: 0.975515,
219: 0.592450,
227: 0.529899,
137: 0.763226,
117: 1.828343,
134: 1.678665,
146: 0.169684,
145: 0.140334,
160: 0.293950,
159: 0.703883,
450: 0.601957,
161: 0.745244,
456: 0.956082,
# 1363: 0.886894,
626: 0.905443,
337: 1.025312}
# Table 8D1.3
S2 = {
# Nonhydrocarbons
1: -0.025891,
62: -0.201789,
63: -0.087598,
50: 0.010699,
46: -0.011016,
48: -0.025280,
49: -0.004474,
98: -0.011721,
# Paraffins
2: -0.012223,
3: -0.012416,
4: -0.003791,
6: 0.003010,
5: 0.006209,
8: -0.000636,
7: -0.005345,
9: 0.000695,
10: -0.007459,
52: -0.003898,
53: -0.009786,
54: -0.006195,
55: -0.004579,
11: -0.003031,
79: -0.002132,
80: -0.002806,
432: -0.003786,
433: -0.001338,
434: 0.000811,
435: -0.004779,
436: 0.000168,
12: -0.000821,
592: -0.000599,
593: -0.002424,
594: -0.001943,
595: -0.001621,
596: -0.001728,
597: -0.001744,
81: -0.002094,
590: -0.004039,
591: -0.002870,
541: -0.001434,
82: -0.004045,
599: -0.003849,
600: -0.004313,
603: 0.035734,
598: -0.002745,
601: -0.002499,
602: -0.004598,
13: 0.005435,
371: -0.009265,
368: 0.012650,
370: -0.000017,
372: 0.002328,
373: -0.002088,
374: -0.001878,
375: -0.005733,
14: 0.003324,
15: -0.012698,
16: -0.001931,
17: 0.010085,
19: -0.033625,
20: -0.002741,
90: -0.003612,
92: -0.014476,
# Naphthenes
258: -0.017047,
705: -0.014555,
36: -0.003383,
37: -0.001461,
59: -0.002891,
93: -0.013551,
94: -0.006564,
95: -0.009015,
96: -0.001337,
97: -0.017759,
179: 0.012036,
583: -0.008055,
582: -0.014972,
578: -0.022620,
579: -0.024026,
580: -0.026470,
412: 0.003368,
38: -0.004637,
39: -0.000172,
87: 0.007389,
88: 0.014432,
577: 0.007290,
89: 0.010622,
85: 0.014903,
86: 0.007723,
184: 0.021283,
366: -0.033961,
190: 0.028388,
390: 0.025957,
391: -0.000764,
414: -0.003096,
356: -0.004421,
584: 0.467088,
# Olefins
22: -0.002805,
23: -0.006163,
24: 0.001178,
25: -0.005287,
26: -0.016832,
27: 0.000612,
29: -0.003670,
30: -0.002330,
31: -0.001574,
32: -0.003510,
34: -0.011281,
33: -0.004255,
35: -0.003219,
552: 0.003966,
553: 0.004891,
554: -0.005113,
555: 0.000441,
767: 0.005190,
556: 0.011483,
# 1352: -0.012116,
768: -0.000858,
557: 0.034720,
558: -0.024994,
559: 0.001675,
560: 0.000704,
562: 0.016761,
561: 0.004265,
563: -0.008468,
766: 0.015833,
56: -0.006221,
# 1395: 0.018598,
# : 0.005120, cis-3-Methyl-3-hexene
# : -0.001891, 2,4-Dimethyl-1-pentene
# : 0.008488, 2,4-Dimethyl-2-pentene
# : -0.005706, cis-4,4-Dimethyl-2-pentene
# 1398: 0.000205,
# : 0.006036, 3-Methyl-2-ethyl-1-butene
83: -0.002307,
# : 0.004362, 2,4,4-Trimethyl-I-pentene
367: -0.000564,
392: -0.005588,
399: 0.010786,
402: 0.008653,
408: 0.005573,
411: 0.008227,
413: 0.000957,
415: 0.010177,
420: 0.021612,
# Diolefins and acetylenes
28: -0.009137,
296: 0.011814,
724: 0.043579,
297: 0.052253,
298: 0.057869,
# 1308: 0.023742,
300: 0.026266,
61: 0.023298,
# 1338: 0.010481,
324: -0.016851,
# 1346: 0.000656,
65: 0.001831,
66: -0.002337,
151: -0.109294,
# 1349: 0.022376,
# Aromatics
40: -0.000318,
41: -0.005125,
45: -0.004227,
43: -0.005645,
42: -0.006569,
44: -0.010556,
70: -0.007551,
71: -0.008698,
75: -0.014458,
76: -0.010675,
77: -0.014912,
73: 0.036093,
72: 0.047885,
74: 0.036093,
# : -0.036510, 1-methyl-3-ethenyl benzene
78: -0.005215,
377: -0.013419,
378: 0.018480,
379: 0.018084,
861: 0.010750,
862: 0.011193,
383: -0.006384,
381: 0.004533,
382: 0.000849,
384: -0.005169,
614: 0.019944,
615: -0.014791,
885: 0.022869,
911: 0.011198,
178: 0.019670,
# Diaromatics and other hydrocarbon rings
386: -0.006020,
387: 0.011339,
376: 0.018025,
181: -0.028120,
185: -0.005006,
191: 0.056699,
192: -0.000472,
# 1495: -0.014329,
# 1490: 0.045513,
888: -0.020675,
69: -0.006625,
194: 0.000398,
406: 0.000798,
# Sulfur compounds
227: 0.141244,
137: 0.003516,
219: 0.026420,
# Oxygenated compounds
117: -0.430885,
134: -0.216396,
146: 1.188769,
145: 1.269059,
160: 1.005612,
159: 0.503560,
450: 0.600508,
161: 0.484002,
456: -0.053074,
# : 0.046280, Ethyl-tertbutyl ether
626: 0.010549,
337: -0.033494}
# TODO: Add interaction coefficient from [1]_
[docs]
class SRKAPI(SRK):
r"""Cubic equation of state derived from Soave-Redlich-Kwong and described
in [1]_, Procedure 8D1.1.
.. math::
\begin{array}[t]{l}
P = \frac{RT}{V-b}-\frac{a}{V\left(V+b\right)}\\
a = 0.42747\frac{R^2T_c^2}{P_c}\alpha\\
b = 0.08664\frac{RT_c}{P_c}\\
\alpha^{0.5} = 1 + S_1\left(1-\sqrt{Tr}\right) +
S_2\frac{\left(1-\sqrt{Tr}\right)}{\sqrt{T_r}}\\
S_1 = 0.48508 + 1.55171\omega - 0.15613\omega^2\\
\end{array}
:math:`S_1` generalized correlation is given in [2]_
This method define too its custom mixture interaction parameters from [3]_
and [4]_
"""
__title__ = "SRK-API (1993)"
__status__ = "SRK-API"
__doi__ = (
{"autor": "API",
"title": "Technical Data book: Petroleum Refining 6th Edition",
"ref": "",
"doi": ""},
{"autor": "Graboski, M.S., Daubert, T.E.",
"title": "A Modified Soave Equation of State for Phase Equilibrium "
"Calculations. 1. Hydrocarbon Systems",
"ref": "Ind. Eng. Chem. Process Des. Dev. 17(4) (1978) 443-448",
"doi": "10.1021/i260068a009"},
{"autor": "Graboski, M.S., Daubert, T.E.",
"title": "A Modified Soave Equation of State for Phase Equilibrium "
"Calculations. 2. Systems Containing CO₂, H₂S, N₂ and CO",
"ref": "Ind. Eng. Chem. Process Des. Dev. 17(4) (1978) 448-454",
"doi": "10.1021/i260068a010"},
{"autor": "Graboski, M.S., Daubert, T.E.",
"title": "A Modified Soave Equation of State for Phase Equilibrium "
"Calculations. 3. Systems Containing Hydrogen",
"ref": "Ind. Eng. Chem. Process Des. Dev. 18(2) (1979) 300-306",
"doi": "10.1021/i260070a022"})
[docs]
def _alfa(self, cmp, T):
"""Special alpha temperature dependence as give in [1]_"""
Tr = T/cmp.Tc
if cmp.id in S2:
s2 = S2[cmp.id]
else:
s2 = 0
if cmp.id in S1:
s1 = S1[cmp.id]
else:
# Eq 8D1.1-7
s1 = 0.48508 + 1.555171*cmp.f_acent - 0.15613*cmp.f_acent**2
alfa = (1 + s1*(1-Tr**0.5) + s2*(1-Tr**0.5)/Tr**0.5)**2 # Eq 8D1.1-6
return alfa
if __name__ == "__main__":
from lib.mezcla import Mezcla
mix = Mezcla(5, ids=[4], caudalMolar=1, fraccionMolar=[1])
eq = SRKAPI(300, 9.9742e5, mix)
print('%0.0f %0.1f' % (eq.Vg.ccmol, eq.Vl.ccmol))
eq = SRKAPI(300, 42.477e5, mix)
print('%0.1f' % (eq.Vl.ccmol))
