Modeling Golzapour’s synthetic oil¶
In [1]:
c = """METHANE
PROPANE
n-PENTANE
n-DECANE
n-HEXADECANE"""
In [2]:
f = """0.8232
0.0871
0.0505
0.0198
0.0194
"""
In [3]:
from sur import Mixture, EosSetup, setup_database
setup_database()
In [4]:
m = Mixture()
In [5]:
m.add_many(c, f)
In [6]:
m.sort()
m
Out[6]:
[(<Compound: METHANE>, Decimal('0.8232')), (<Compound: PROPANE>, Decimal('0.0871')), (<Compound: n-PENTANE>, Decimal('0.0505')), (<Compound: n-DECANE>, Decimal('0.0198')), (<Compound: n-HEXADECANE>, Decimal('0.0194'))]
In [7]:
from itertools import combinations
In [8]:
setup = EosSetup.objects.create(eos='RKPR', kij_mode=EosSetup.T_DEP, lij_mode=EosSetup.CONSTANTS)
In [9]:
for c1, c2 in combinations(m.compounds, 2):
t = c1.tc if c1.weight < c2.weight else c2.tc
setup.set_interaction('tstar', c1, c2, t)
In [10]:
setup.tstar(m)
Out[10]:
array([[ 0. , 190.564, 190.564, 190.564, 190.564],
[ 190.564, 0. , 369.83 , 369.83 , 369.83 ],
[ 190.564, 369.83 , 0. , 469.7 , 469.7 ],
[ 190.564, 369.83 , 469.7 , 0. , 617.7 ],
[ 190.564, 369.83 , 469.7 , 617.7 , 0. ]])
In [11]:
setup.set_interaction('k0', 'methane', 'propane', 0.0572)
setup.set_interaction('k0', 'methane', 'n-pentane', 0.05616)
setup.set_interaction('k0', 'methane', 'n-decane', 0.06891)
setup.set_interaction('k0', 'methane', 'n-hexadecane', 0.14031);
In [12]:
setup.k0(m)
Out[12]:
array([[ 0. , 0.0572 , 0.05616, 0.06891, 0.14031],
[ 0.0572 , 0. , 0. , 0. , 0. ],
[ 0.05616, 0. , 0. , 0. , 0. ],
[ 0.06891, 0. , 0. , 0. , 0. ],
[ 0.14031, 0. , 0. , 0. , 0. ]])
In [13]:
setup.set_interaction('lij', 'methane', 'propane', -0.00272)
setup.set_interaction('lij', 'methane', 'n-pentane', -0.06603)
setup.set_interaction('lij', 'methane', 'n-decane', -0.09227)
setup.set_interaction('lij', 'methane', 'n-hexadecane', -0.12441);
In [14]:
setup.lij(m)
Out[14]:
array([[ 0. , -0.00272 , -0.06603 , -0.09227 , -0.12441 ],
[-0.00272 , 0. , -0.010835, -0.032481, -0.023269],
[-0.06603 , -0.010835, 0. , -0.02353 , -0.012501],
[-0.09227 , -0.032481, -0.02353 , 0. , 0.049878],
[-0.12441 , -0.023269, -0.012501, 0.049878, 0. ]])
In [15]:
envelope = m.get_envelope(setup)
In [17]:
%matplotlib inline
In [19]:
envelope.plot();
Debug attributes¶
There is possible to see the raw input and output data that sur
interchange with the EnvelopeSur.exe fortran program.
In [21]:
print(envelope.input_txt)
5 NC
0.8232 0.0871 0.0505 0.0198 0.0194 z1,z2...zNC
3 NMODEL (1:SRK / 2:PR / 3:RKPR)
0 1 ncomb, nTdep
METHANE(1)
190.564 45.99 0.0115478 0.116530154855 1.16 tc, pc, ohm, vc, zrat
2.30376807604 0.0304337956072 0.5 1.54083758839 ac, b, delta1, k
PROPANE(2)
369.83 42.48 0.152291 0.233012170918 1.16 tc, pc, ohm, vc, zrat
9.80216972295 0.0598748909487 1.663687 1.9574557212 ac, b, delta1, k
0.0572 k0
190.564 tstar
-0.00272 lij
n-PENTANE(3)
469.7 33.7 0.251506 0.366506659349 1.16 tc, pc, ohm, vc, zrat
20.2236971345 0.0936309815449 1.957315 2.28798764446 ac, b, delta1, k
0.05616 0.0 k0
190.564 369.83 tstar
-0.06603 -0.010835 lij
n-DECANE(4)
617.7 21.1 0.492328 0.756468369911 1.16 tc, pc, ohm, vc, zrat
56.6610724692 0.192140038284 2.239538 3.11337933794 ac, b, delta1, k
0.06891 0.0 0.0 k0
190.564 369.83 469.7 tstar
-0.09227 -0.032481 -0.02353 lij
n-HEXADECANE(5)
723.0 14.0 0.717404 1.34252502769 1.16 tc, pc, ohm, vc, zrat
116.426356444 0.341676477137 2.14291 3.90352446586 ac, b, delta1, k
0.14031 0.0 0.0 0.0 k0
190.564 369.83 469.7 617.7 tstar
-0.12441 -0.023269 -0.012501 0.049878 lij
In [22]:
print(envelope.output_txt)
METHANE(1)
Tc= 190.5640 Pc = 45.9900 Vc = 0.1005 OM = 0.0115
Zc= 0.2916 Zcrat= 1.1600 Zceos= 0.3382 Vceos= 0.1165
ac= 2.3038 b = 0.0304 del1= 0.5000 k = 1.5408
PROPANE(2)
Tc= 369.8300 Pc = 42.4800 Vc = 0.2009 OM = 0.1523
Zc= 0.2775 Zcrat= 1.1600 Zceos= 0.3219 Vceos= 0.2330
ac= 9.8022 b = 0.0599 del1= 1.6637 k = 1.9575
n-PENTANE(3)
Tc= 469.7000 Pc = 33.7000 Vc = 0.3160 OM = 0.2515
Zc= 0.2726 Zcrat= 1.1600 Zceos= 0.3163 Vceos= 0.3665
ac= 20.2237 b = 0.0936 del1= 1.9573 k = 2.2880
n-DECANE(4)
Tc= 617.7000 Pc = 21.1000 Vc = 0.6521 OM = 0.4923
Zc= 0.2679 Zcrat= 1.1600 Zceos= 0.3108 Vceos= 0.7565
ac= 56.6611 b = 0.1921 del1= 2.2395 k = 3.1134
n-HEXADECANE(5)
Tc= 723.0000 Pc = 14.0000 Vc = 1.1573 OM = 0.7174
Zc= 0.2695 Zcrat= 1.1600 Zceos= 0.3127 Vceos= 1.3425
ac= 116.4264 b = 0.3417 del1= 2.1429 k = 3.9035
Tc, Pc and Vc are given in K, bar and L/mol respectively
K0ij MATRIX
METHANE(1)
PROPANE(2) 0.05720
n-PENTANE(3) 0.05616 0.00000
n-DECANE(4) 0.06891 0.00000 0.00000
n-HEXADECANE(5) 0.14031 0.00000 0.00000 0.00000
T* MATRIX
METHANE(1)
PROPANE(2) 190.56400
n-PENTANE(3) 190.56400 369.83000
n-DECANE(4) 190.56400 369.83000 469.70000
n-HEXADECANE(5) 190.56400 369.83000 469.70000 617.70000
LIJ MATRIX
METHANE(1)
PROPANE(2) -0.00272
n-PENTANE(3) -0.06603 -0.01083
n-DECANE(4) -0.09227 -0.03248 -0.02353
n-HEXADECANE(5) -0.12441 -0.02327 -0.01250 0.04988
Combining rules:
0: Classical or van der Waals
Molar fractions: 0.823 0.087 0.051 0.020 0.019
x 0.8232E+00 0.8710E-01 0.5050E-01 0.1980E-01 0.1940E-01
y 0.8083E+00 0.9037E-01 0.5408E-01 0.2300E-01 0.2427E-01
x 0.8232E+00 0.8710E-01 0.5050E-01 0.1980E-01 0.1940E-01
y 0.8106E+00 0.8992E-01 0.5354E-01 0.2249E-01 0.2347E-01
x 0.8232E+00 0.8710E-01 0.5050E-01 0.1980E-01 0.1940E-01
y 0.8129E+00 0.8946E-01 0.5300E-01 0.2198E-01 0.2270E-01
x 0.8232E+00 0.8710E-01 0.5050E-01 0.1980E-01 0.1940E-01
y 0.8132E+00 0.8939E-01 0.5290E-01 0.2190E-01 0.2258E-01
x 0.8232E+00 0.8710E-01 0.5050E-01 0.1980E-01 0.1940E-01
y 0.8132E+00 0.8939E-01 0.5290E-01 0.2189E-01 0.2257E-01
T(K) P(bar) D(mol/L)
310.0000 0.2472E-03 0.9591E-05
312.0835 0.3052E-03 0.1176E-04
314.9521 0.4056E-03 0.1549E-04
317.8332 0.5364E-03 0.2030E-04
320.7258 0.7057E-03 0.2647E-04
323.6288 0.9239E-03 0.3434E-04
326.5410 0.1203E-02 0.4433E-04
329.4613 0.1560E-02 0.5694E-04
332.3882 0.2011E-02 0.7278E-04
335.3203 0.2580E-02 0.9255E-04
338.2562 0.3294E-02 0.1171E-03
341.1944 0.4183E-02 0.1475E-03
344.1330 0.5286E-02 0.1848E-03
347.0704 0.6646E-02 0.2303E-03
350.0046 0.8314E-02 0.2857E-03
352.9337 0.1035E-01 0.3527E-03
355.8556 0.1282E-01 0.4332E-03
358.7683 0.1579E-01 0.5294E-03
361.6694 0.1936E-01 0.6438E-03
364.5565 0.2361E-01 0.7790E-03
367.4272 0.2865E-01 0.9380E-03
370.2788 0.3459E-01 0.1124E-02
373.1088 0.4156E-01 0.1340E-02
375.9142 0.4967E-01 0.1590E-02
378.6923 0.5907E-01 0.1876E-02
381.4399 0.6989E-01 0.2204E-02
384.1540 0.8227E-01 0.2576E-02
386.8314 0.9636E-01 0.2997E-02
389.4689 0.1123E+00 0.3469E-02
392.0630 0.1302E+00 0.3995E-02
394.6103 0.1502E+00 0.4578E-02
397.1074 0.1723E+00 0.5221E-02
399.5507 0.1968E+00 0.5926E-02
401.9367 0.2235E+00 0.6692E-02
404.2616 0.2526E+00 0.7520E-02
406.5220 0.2841E+00 0.8409E-02
408.7141 0.3178E+00 0.9357E-02
410.8344 0.3537E+00 0.1036E-01
412.8793 0.3917E+00 0.1142E-01
414.9101 0.4329E+00 0.1256E-01
416.9662 0.4784E+00 0.1381E-01
419.0479 0.5287E+00 0.1519E-01
421.1556 0.5843E+00 0.1670E-01
423.2897 0.6457E+00 0.1837E-01
425.4506 0.7137E+00 0.2020E-01
427.6385 0.7887E+00 0.2221E-01
429.8540 0.8717E+00 0.2442E-01
435.2429 0.1106E+01 0.3061E-01
440.6600 0.1396E+01 0.3816E-01
446.0967 0.1751E+01 0.4732E-01
451.5439 0.2185E+01 0.5835E-01
456.9909 0.2711E+01 0.7157E-01
462.4262 0.3345E+01 0.8732E-01
467.8367 0.4105E+01 0.1060E+00
473.2085 0.5011E+01 0.1280E+00
478.5263 0.6083E+01 0.1537E+00
483.7736 0.7347E+01 0.1838E+00
488.9328 0.8827E+01 0.2186E+00
493.9850 0.1055E+02 0.2589E+00
498.9102 0.1255E+02 0.3052E+00
503.6871 0.1486E+02 0.3581E+00
508.2933 0.1750E+02 0.4185E+00
512.7048 0.2053E+02 0.4871E+00
516.8961 0.2397E+02 0.5647E+00
520.8398 0.2787E+02 0.6524E+00
524.5063 0.3228E+02 0.7510E+00
527.8631 0.3724E+02 0.8617E+00
531.8966 0.4504E+02 0.1036E+01
535.3488 0.5475E+02 0.1252E+01
537.9048 0.6687E+02 0.1523E+01
539.1107 0.8209E+02 0.1866E+01
538.2987 0.1013E+03 0.2305E+01
534.4547 0.1255E+03 0.2874E+01
525.9621 0.1564E+03 0.3625E+01
522.0429 0.1675E+03 0.3905E+01
517.8064 0.1783E+03 0.4182E+01
513.2952 0.1887E+03 0.4458E+01
508.5464 0.1989E+03 0.4732E+01
503.5934 0.2087E+03 0.5004E+01
498.4657 0.2181E+03 0.5272E+01
493.1902 0.2272E+03 0.5538E+01
487.7914 0.2358E+03 0.5801E+01
482.2913 0.2441E+03 0.6061E+01
476.7103 0.2521E+03 0.6317E+01
471.0667 0.2596E+03 0.6569E+01
465.3775 0.2667E+03 0.6818E+01
459.6579 0.2734E+03 0.7063E+01
453.9218 0.2797E+03 0.7303E+01
448.1818 0.2856E+03 0.7540E+01
442.4494 0.2911E+03 0.7772E+01
436.7347 0.2962E+03 0.7999E+01
431.0469 0.3010E+03 0.8223E+01
425.3940 0.3053E+03 0.8442E+01
419.7833 0.3093E+03 0.8656E+01
414.2209 0.3129E+03 0.8866E+01
408.7122 0.3161E+03 0.9072E+01
403.2617 0.3191E+03 0.9273E+01
397.8733 0.3216E+03 0.9470E+01
392.5500 0.3239E+03 0.9663E+01
387.2942 0.3258E+03 0.9852E+01
382.0379 0.3274E+03 0.1004E+02
376.7143 0.3288E+03 0.1023E+02
371.3183 0.3299E+03 0.1042E+02
365.8427 0.3307E+03 0.1061E+02
360.2784 0.3311E+03 0.1080E+02
354.6136 0.3313E+03 0.1099E+02
348.8328 0.3311E+03 0.1119E+02
342.9153 0.3306E+03 0.1139E+02
336.8332 0.3296E+03 0.1159E+02
330.5478 0.3282E+03 0.1180E+02
324.0036 0.3263E+03 0.1202E+02
317.1145 0.3238E+03 0.1224E+02
309.7443 0.3206E+03 0.1249E+02
301.6363 0.3164E+03 0.1275E+02
292.2243 0.3108E+03 0.1306E+02
284.4179 0.3054E+03 0.1331E+02
272.0585 0.2961E+03 0.1371E+02
265.9509 0.2911E+03 0.1391E+02
265.6858 0.2909E+03 0.1392E+02
Number of critical points found: 0
T(K) P(bar) D(mol/L)