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H12/P, Equilibrium Coefficient

This document contains solubility calculations for tars in polydimethylsiloxane (PDMS) solvent. It provides intrinsic properties for tars and PDMS, equilibrium coefficients for naphthalene solubility at different temperatures, and mole fraction calculations for various tar constituents. The calculations are based on naphthalene being the only tar component. Antoine equation parameters are also listed for vapor pressure calculations of different tar constituents.

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0% found this document useful (0 votes)
93 views24 pages

H12/P, Equilibrium Coefficient

This document contains solubility calculations for tars in polydimethylsiloxane (PDMS) solvent. It provides intrinsic properties for tars and PDMS, equilibrium coefficients for naphthalene solubility at different temperatures, and mole fraction calculations for various tar constituents. The calculations are based on naphthalene being the only tar component. Antoine equation parameters are also listed for vapor pressure calculations of different tar constituents.

Uploaded by

Fareeha Hasan
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as XLSX, PDF, TXT or read online on Scribd
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Tars Siolu

Intrinsic Variable Value Units


Dew Point of Tars 460.1 K
Tc Naphthalene 748 k
Pc Naphthlene 40.46 atm
Naphthalene Solubility Parameter 10.25 (cal/cc)1/2
PDMS Solubility Parameter 7.28 (cal/cc)1/2
f2o 1 atm
2
φ 1
R 1.987 Cal/gmol.K
m (a aparameter to calculate alpha) 0.939
eccentric factor of naphthalene 0.302
Molecular Weight of PDMS 410 g/gmole

Reduced
Temperature, C Temperature, K
Temperature (Tr)
190 463.15 0.61918449197861
170 443.15 0.592446524064171
150 423.15 0.565708556149733
130 403.15 0.538970588235294
110 383.15 0.512232620320856
90 363.15 0.485494652406417
70 343.15 0.458756684491979
50 323.15 0.43201871657754
30 303.15 0.405280748663102

H12/P,
Equilibrium Coefficient
9

8
H12/P,
Equilibrium Coefficient
9

7
Equilibrium Coefficient mol/mol

3
9; 2.74227066955442

0
300 320 340 360 380 400

Temperature of SiSiB Absorbent, K


Tars Siolubility Calculations With PDMS Solvent (Calculations are besed on Naphthalene as the only tar cons

fL/Pc from the VL ,ml/mol


L
f , atm = fugasity
= Molarof Naphthalene (equal1/x x2 pressure
to2 the saturation A* at this temperature)
B*
extrapolated chart volume
0.07 2.8322 145.96 2.93690731 8.317908871 0.1202225 0.039725 0.003461
0.055 2.2253 141.78 3.08323624 6.86112561 0.1457487 0.00013 0.003617
0.046 1.86116 139.17 3.25176757 6.052059728 0.165233 9.429E-06 0.003788
0.036 1.45656 136.67 3.44766769 5.021734848 0.1991344 5.385E-06 0.003976
0.03 1.2138 134.31 3.677762 4.464067515 0.2240109 1.156E-07 0.004183
0.027 1.09242 131.07 3.95123065 4.316403384 0.2316744 1.324E-07 0.004414
0.019 0.76874 112.4 4.2806731 3.290724635 0.3038844 6.02E-07 0.004671
0.017 0.68782 112.4 4.68378365 3.221600071 0.3104048 1.56E-07 0.00496
0.013 0.52598 112.4 5.18607438 2.727771403 0.3665996 1.888E-08 0.005287

um Coefficient
um Coefficient

400 420 440 460 480

ture of SiSiB Absorbent, K


lene as the only tar constituent)

compressibiliy factor, z

A*-B*-B*2 A *B * α m 1 2 3 z, usable ln(f/P) f/P

0.036253 0.000137 1.440432 0.939296 0.00433 0.0329 0.9627 1 -0.03619 0.964457


-0.0035 4.716E-07 1.479422 0.939296 -0.003348 -0.00014 1.003488 1 0.003493 1.003499
-0.003793 3.572E-08 1.519839 0.939296 -0.003469 -0.000169 1.003637 1 0.003786 1.003793
-0.003986 2.141E-08 1.561789 0.939296 -0.003969 -5.65E-06 1.003974 1 0.003978 1.003986
-0.004201 4.837E-10 1.605385 0.939296 -0.004182 -1.15E-07 1.004183 1 0.004192 1.004201
-0.004433 5.842E-10 1.650759 0.939296 -0.00441 -1.32E-07 1.004411 1 0.004423 1.004433
-0.004692 2.812E-09 1.698059 0.939296 -0.004668 -5.99E-07 1.004668 1 0.004681 1.004692
-0.004985 7.738E-10 1.747457 0.939296 -0.004955 -1.55E-07 1.004955 1 0.004972 1.004985
-0.005315 9.982E-11 1.799152 0.939296 -0.005292 -1.88E-08 1.005292 1 0.005301 1.005315
H12/P,
Equilibrium
Coefficient
8.02226579
6.8851359156
6.0750144219
5.0417530293
4.4828202836
4.3355388448
3.3061657931
3.2376586891
2.7422706696
Antoine Parameters
Name of Tar Equation Used
A B C
Constituent
Benzene 4.60362 1701.073 20.806 log10(P) = A − (B / (T + C))

Pyridine 4.16272 1371.358 -58.496 log10(P) = A − (B / (T + C))

Toluene 4.54436 1738.123 0.394 log10(P) = A − (B / (T + C))

2-mePyridine 4.13613 1401.681 -63.162 log10(P) = A − (B / (T + C))

3+4-mePyridine 4.17879 1484.307 -61.606 log10(P) = A − (B / (T + C))

Ethylbenzene 4.40536 1695.026 -23.698 log10(P) = A − (B / (T + C))

m/p-Xylene 4.50944 1788.91 -13.902 log10(P) = A − (B / (T + C))

o-Xylene + Styrene 4.12928 1478.244 -59.076 log10(P) = A − (B / (T + C))

Phenol 4.24688 1509.677 -98.949 log10(P) = A − (B / (T + C))

o-Cresol 3.96775 1391.332 -112.974 log10(P) = A − (B / (T + C))

Indene 5.33514 2511.452 16.524 log10(P) = A − (B / (T + C))

m/p-Cresol 4.14093 1498.579 -112.6 log10(P) = A − (B / (T + C))


Naphthalene 3.97067 1606.529 -85.923 log10(P) = A − (B / (T + C))

Quinoline 3.94043 1667.104 -87.085 log10(P) = A − (B / (T + C))

Isoquinoline 3.99506 1693.807 -91.852 log10(P) = A − (B / (T + C))

2-methylnaphthalene 4.1934 1840.268 -74.755 log10(P) = A − (B / (T + C))

1-methylnaphthalene 4.16082 1826.948 -78.148 log10(P) = A − (B / (T + C))

Biphenyl 4.35685 1987.623 -71.556 log10(P) = A − (B / (T + C))

Ethenylnaphthalene

Acenaphtylene 7.1167 1923.8 184.166 log10(P) = A − (B / (T + C))

Acenaphtene 7.16063 2033.35 197.714 log10(P) = A − (B / (T + C))

Fluorene 5.25103 3011.076 3.857 log10(P) = A − (B / (T + C))

Phenanthrene 4.6894 2673.32 -40.7 log10(P) = A − (B / (T + C))

Anthracene 4.72997 2759.53 -30.753 log10(P) = A − (B / (T + C))

Fluoranthene 2.51213 1017.476 -253.875 log10(P) = A − (B / (T + C))

Pyrene 2.68713 1086.824 -262.849 log10(P) = A − (B / (T + C))

Benzo(a)anthracene

Chrysene

Benzo(b)fluoranthene
Benzo(k)fluoranthene
Benzo(e)pyrene
Benzo(a)pyrene
Perylene

Indeno(123-cd)perylene

Dibenzo(a,h)anthracene

Benzo(ghi)perylene
Coronene

Syngas Components

Hydrogen
Nitrogen
Methane
Carbon Monoxide
Carbon dioxide
Ethene
Ethane
Total Moles
Tar Mole Fraction Calculations
Molecular Weight Concentration Molar mass
Moles/Nm3 Mole fraction
(g/gmol) (mg/Nm3) fraction
78.11 2890 0.036999103827935 0.000828181877 0.06468929

79.1 150 0.001896333754741 0.000042447224 0.00335758

92.14 1460 0.015845452572173 0.000354682014 0.0326804

93.13 0 0 0.000000000000 0

93.13 0 0 0.000000000000 0

106.17 55 0.000518037110295 0.000011595658 0.00123111

106.16 165 0.00155425772419 0.000034790250 0.00369333

106.17 610 0.005745502495997 0.000128606386 0.01365414

94.11 1290 0.013707363723303 0.000306823384 0.02887515

108.14 260 0.002404290734233 0.000053817250 0.0058198

116.16 440 0.003787878787879 0.000084787258 0.00984889

108.14 660 0.006103199556131 0.000136613019 0.01477333


128.18 400 0.003120611639881 0.000069851260 0.00895353

129.16 60 0.000464540105296 0.000010398190 0.00134303

129.16 70 0.000541963456178 0.000012131221 0.00156687

142.2 80 0.00056258790436 0.000012592875 0.00179071

142.2 90 0.000632911392405 0.000014166985 0.00201455

154.21 60 0.000389079826211 0.000008709099 0.00134303

154.21 0 0 0.000000000000 0

152.19 110 0.000722780734608 0.000016178606 0.00246222

154.21 20 0.000129693275404 0.000002903033 0.00044768

166.23 70 0.000421103290621 0.000009425907 0.00156687

178.24 80 0.000448833034111 0.000010046605 0.00179071

178.24 30 0.000168312387792 0.000003767477 0.00067152

202.26 50 0.000247206565806 0.000005533431 0.00111919

202.26 30 0.000148323939484 0.000003320059 0.00067152

228.3 20 8.760402978537E-05 0.000001960914 0.00044768

228.3 70 0.000306614104249 0.000006863200 0.00156687

252.31 20 7.926756767469E-05 0.000001774312 0.00044768


252.31 10 3.963378383734E-05 0.000000887156 0.00022384
252.31 0 0 0.000000000000 0
252.31 10 3.963378383734E-05 0.000000887156 0.00022384
252.31 0 0 0.000000000000 0

276.33 0 0 0.000000000000 0

278.35 10 3.592599245554E-05 0.000000804162 0.00022384

276.33 10 3.61886150617E-05 0.000000810040 0.00022384


300.35 0 0 0.000000000000 0
Volume of gas at 0 oC
Composition (Molar
and 1 atm in 1 Nm3 of 0
Percentage)
Syngas
24.44 0.2444 10.9035641761525 0.244063593866809 5.96491423
2.79 0.0279 1.2447194783742 0.027861596844861 0.07773386
11.92 0.1192 5.31794128395 0.119035926304925 1.41890824
35.34 0.3534 15.7664467260732 0.352913560034904 12.4719652
20.27 0.2027 9.04317699879753 0.202420992130942 4.10307351
4.41 0.0441 1.967459820656 0.044039298238651 0.19421331
0.75 0.0075 0.334602010315646 0.007489676571199 0.00561726
44.6750947300351 1 24.4441476

Mole fraction of tars 0.002175356007709


Taking benzene as key component
PBZsv = 12.4457321764483
estimated boiling point of each First Run for dew point
component yi*TB
TB(K)
33.3764418522924 0.027641764275203

651.203109375 0.027641764275203

77.9339328981165 0.027641764275203

0 0

0 0

2383.80303835227 0.027641764275203

794.526170454546 0.027641764275203

214.933060835041 0.027641764275203

90.0901488008721 0.027641764275203

513.6227578125 0.027641764275203

326.0131875 0.027641764275203

202.336237926136 0.027641764275203
395.723204296875 0.027641764275203

2658.324703125 0.027641764275203

2278.56403125 0.027641764275203

2195.03197265625 0.027641764275203

1951.13953125 0.027641764275203

3173.89480078125 0.027641764275203

0 0

1708.53812002841 0.027641764275203

9521.68440234375 0.027641764275203

2932.5309609375 0.027641764275203

2751.35371875 0.027641764275203

7336.94325 0.027641764275203

4995.411159375 0.027641764275203

8325.685265625 0.027641764275203

14096.3656640625 0.027641764275203

4027.533046875 0.027641764275203

15578.8612382813 0.027641764275203
31157.7224765625 0.027641764275203
0 0
31157.7224765625 0.027641764275203
0 0

0 0

34373.3980078125 0.027641764275203

34123.9485234375 0.027641764275203
0 0

SUM OF Yi*TB = 0.829252928256094


K o
C
T(saturation tempeature at new estimated pressure, K)
464.023623973575 190.873623973575
First Run for dew point
Pisv at temp E56 (Bar) yi/Pisv xi=yi*Pactual/Pisv

12.446557547781 0.000066539031 6.7422236739736E-05

6.04073241703189 0.000007026834 7.1201046980379E-06

6.33586406459085 0.000055980054 5.672310548277E-05

4.36007793752481 0.000000000000 0

3.0928035566863 0.000000000000 0

3.59676282795237 0.000003223915 3.2667076805675E-06

3.4292072542817 0.000010145275 1.027993818708E-05

3.01202519719114 0.000042697646 4.3264393474212E-05

1.29321031208111 0.000237257143 0.000240406375342

1.01029088041346 0.000053269064 5.3976131183704E-05

1.28515092355833 0.000065974553 6.6850266535786E-05

0.752781731374326 0.000181477596 0.000183886438702


0.526949596801463 0.000132557763 0.000134317268159

0.329404965960754 0.000031566584 3.1985583266911E-05

0.277948116429184 0.000043645632 4.4224962268988E-05

0.292379447904097 0.000043070317 4.3642010715213E-05

0.266880822143799 0.000053083563 5.3788167534182E-05

0.19609926398036 0.000044411687 4.5001185231158E-05

0 0.000000000000 0

0.129439238239334 0.000124989962 0.000126649016732

0.112958389452602 0.000025700021 2.6041150624398E-05

0.065391319187448 0.000144146152 0.000146059476265

0.023680201619973 0.000424261805 0.000429893244409

0.022959406396728 0.000164092958 0.000166271045842

0.004683003798625 0.001181598713 0.001197282663613

0.001926840482088 0.001723058441 0.001745929457218

0.000235866771985 0.008313651946 0.008424003205348

0.000235866771985 0.029097781812 0.029484011218717

2.31009235932329E-05 0.076806983016 0.077826480505485


2.31009235932329E-05 0.038403491508 0.038913240252742
2.31009235932329E-05 0.000000000000 0
2.31009235932329E-05 0.038403491508 0.038913240252742
2.31009235932329E-05 0.000000000000 0

2.26032905050363E-06 0.000000000000 0

1.85900142315489E-06 0.432577145071 0.438318957805926

2.26032905050363E-06 0.358372613719 0.36312947260723


2.2116377277864E-07 0.000000000000 0

1.01334069788656 0.999933686778094

P(bar) xi=yi*Pactual/Pisv
PBZsv ,Bar = 12.448835731 DEW POINT
K o
C THERSITE VALUE(oC)
T(saturation tempeature at new estimated pressure, K)
464.0385876 190.88858763589 187
Second Run for dew point Third Run for dew point
Pisv at temp P3(Bar) yi/Pisv xi=yi*Pactual/Pisv Pisv at temp U3(Bar)

12.4457321764483 6.654344E-05 6.7426708022E-05 12.448835731359

6.04027083155012 7.027371E-06 7.12064880228E-06 6.04200649821455

6.33539619733157 5.598419E-05 5.67272944684E-05 6.33715548471989

4.35972943474544 0 0 4.36103989061294

3.09254379625763 0 0 3.09352056471023

3.59647469537441 3.224173E-06 3.26696939377E-06 3.59755814741588

3.4289298108155 1.01461E-05 1.02807699631E-05 3.42997307078243

3.01177639268105 4.270117E-05 4.32679675696E-05 3.01271196233078

1.2930760862598 0.0002372818 0.000240431330365 1.29358082351287

1.01018636358263 5.327458E-05 5.39817157118E-05 1.0105793837137

1.28502285151222 6.598113E-05 6.68569291803E-05 1.28550444909452

0.752698030270991 0.0001814978 0.000183906887139 0.753012779299549


0.526895335605124 0.0001325714 0.000134331100537 0.527099377154658

0.329369550160438 3.156998E-05 3.19890225497E-05 0.329502727088278

0.27791697162493 4.365052E-05 4.42299183456E-05 0.278034088667116

0.292346911170648 4.307511E-05 4.36468678504E-05 0.292469262457342

0.266850817159146 5.308953E-05 5.37942155319E-05 0.266963648196107

0.196076076921566 4.441694E-05 4.50065068652E-05 0.196163270504881

0 0 0 0

0.129423015911479 0.0001250056 0.000126664891357 0.129484019547284

0.112944451631094 2.570319E-05 2.60443642122E-05 0.112996864354344

0.065383077539284 0.0001441643 0.000146077887311 0.06541407025015

0.023676964707138 0.0004243198 0.00042995201575 0.023689137264046

0.022956313841348 0.0001641151 0.000166293445014 0.022967943510413

0.004682015211492 0.0011818482 0.001197535464636 0.004685733122017

0.00192636638204 0.0017234825 0.001746359149745 0.001928149474728

0.0002358040775 0.0083158623 0.008426242939924 0.000236039885504

0.0002358040775 0.0291055182 0.029491850289735 0.000236039885504

2.30941375846685E-05 0.0768295521 0.0778493491301 2.31196622680387E-05


2.30941375846685E-05 0.038414776 0.03892467456505 2.31196622680387E-05
2.30941375846685E-05 0 0 2.31196622680387E-05
2.30941375846685E-05 0.038414776 0.03892467456505 2.31196622680387E-05
2.30941375846685E-05 0 0 2.31196622680387E-05

2.25960186665091E-06 0 0 2.26233717916787E-06

1.85839898154546E-06 0.4327173746 0.438461048702988 1.860665081678E-06

2.25960186665091E-06 0.358487945 0.363246334738043 2.26233717916787E-06


2.21086437068849E-07 0 0 2.21377347683863E-07

1.013020886 1.00025

P(bar) xi=yi*Pactual/Pisv
Third Run for dew point
yi/Pisv xi=yi*Pactual/Pisv

6.6526854021E-05 6.7409898218E-05

7.0253522644E-06 7.1186032777E-06

5.5968646312E-05 5.6711546139E-05

0 0

0 0

3.2232023268E-06 3.2659855029E-06

1.0143009726E-05 1.0277642966E-05

4.2687913091E-05 4.3254531105E-05

0.00023718918673 0.0002403375174

5.3253856844E-05 5.3960721912E-05

6.5956409694E-05 6.6831882098E-05

0.00018142191282 0.00018383001658
0.00013252009513 0.00013427910062

3.1557218629E-05 3.1976093371E-05

4.36321361E-05 4.4211287259E-05

4.3057090376E-05 4.3628608665E-05

5.3067093572E-05 5.3771479638E-05

4.4397195525E-05 4.49865017E-05

0 0

0.0001249467354 0.00012660521589

2.5691270654E-05 2.6032283735E-05

0.00014409601817 0.00014600867667

0.00042410177197 0.00042973108684

0.00016403196512 0.00016620924341

0.00118091046113 0.00119658527614

0.00172188868168 0.0017447441711

0.00830755464814 0.00841782497476

0.02907644126849 0.02946238741167

0.07674473033033 0.07776340150837
0.03837236516517 0.03888170075419
0 0
0.03837236516517 0.03888170075419
0 0

0 0

0.43219036904037 0.43792704790383

0.35805450980211 0.36280714633797
0 0

1.0142238510602 0.99906

P(bar) xi=yi*Pactual/Pisv

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