C6 H 5 CH 2 CH 3  C6 H 5 CHCH 2  H 2 ..................................

1
A  BC
C6 H 5 CH 2 CH 3  H 2  C6 H 5 CH 3  CH 4 ............................ 2
AC  D  E
Trail One
Molar Masses
Component Chemical Formula Symbol Units Value
Ethylbenzene C8H10 MMA kg/kmol 106.165
Styrene C8H8 MMB kg/kmol 104.14912
Hydrogen H2 MMC kg/kmol 2.01588
Toluene C7H8 MMD kg/kmol 92.13842
Methane CH4 MME kg/kmol 16.04246
Steam H2O MMS kg/kmol 18.01528

First Process calculation we assumed that there is no Recycle;F2 contain pure of A equal to 100 kmol A/hr
Material Balance around Reactor(R-501)
Description Symbol Equation Units 1 2 3 4 1
Pressure P Bar 1.2 1.2 1.2 1.2 1.2
Temperature T K 800 850 900 950 800
Toluene Selectivity S S0T 0.01 0.03 0.06 0.13 0.01
Equilibrium Constant Keq Exp(15.5408-14852.6/T) 0.0486 0.1447 0.3821 0.9107 0.0486
Component A molar flow rate in stream 2 (Basis) FA,2 kmol/hr 100 100 100 100 100
Stream 2 molar flow rate (Basis) F2 kmol/hr 100 100 100 100 100
Stream 2 Mass flow rate (Basis) ṁ2 F2*MMA kg/hr 10616.5 10616.5 10616.5 10616.5 10616.5
Stream 3 molar flow rate F3 F2=F3 kmol/hr 100 100 100 100 100
Steam Ratio to Ethylbenzene F5/F3 kmol/hr 6 6 6 6 12
FA,6 F2=F3 kmol/hr 100 100 100 100 100
Steam molar flowrate Fs,6 (F5/F3)*FA,2 kmol/hr 600 600 600 600 1200
Total molar flow rate Stream 6 F6 Fs,6+FA,2 kmol/hr 700 700 700 700 1300
Stream 5 Mass flow rate ṁ5 kg/hr 10809.168 10809.168 10809.168 10809.168 21618.336
Component A Mass flowrate ṁA,6 FA,6*MMA kg/hr 10616.5 10616.5 10616.5 10616.5 10616.5
Steam Mass flowrate ṁs,6 FS,6*MMS kg/hr 10809.1680 10809.1680 10809.1680 10809.1680 21618.3360
Total Mass flow rate Stream 6 to R501 ṁ6 ṁA,6 + ṁS,6 kg/hr 21425.6680 21425.6680 21425.6680 21425.6680 32234.8360
Equilibrium Constant Keq Exp(15.5408-14852.6/T) 0.0486 0.1447 0.3821 0.9107 0.0486
Equilibrium Constant Keq (yBycP)/yA 0.0486 0.1447 0.3821 0.9107 0.0486
Equilibrium Constant Keq [(Xe.Xe)P]/[(100 -Xe)(700+Xe)] 0.0486 0.1447 0.3821 0.9107 0.0486
(P+Keq)Xe + 600KeqXe -70000Keq
2
(P+K
P+Keq 1.2486 1.3447 1.5821 2.1107 1.2486
600Keq 29.1361 86.8413 229.2563 546.4342 58.2723
-70000Keq -3399.2174 -10131.4879 -26746.5730 -63750.6546 -6312.8324
 Component A moles reacted Xe [600Keq±√(600Keq²-4(P+Keq)(-70000Keq))]/2(P+Keq) kmol/hr 41.7984 60.3216 76.3931 87.2568 51.5017
Component A moles reacted X 80%Xe kmol/hr 33.4388 48.2573 61.1145 69.8055 41.2013
Extent of reaction 1 ξ1 X kmol/hr 33.4388 48.2573 61.1145 69.8055 41.2013
Extent of reaction 2 ξ2 kmol/hr ξ2 ξ2 ξ2 ξ2 ξ2
Toluene Selectivity S ξ2/(ξ1+ξ2) 0.01 0.03 0.06 0.13 0.01
Extent of reaction 2 ξ2 Sξ1/(1-S) kmol/hr 0.337765187864031 1.49249291306461 3.9009263848479 10.4307026557679 0.416175240525342

Component A molar flow rate output from R-501 FA,7 FA,6 -ξ1-ξ2 kmol/hr 66.2235 50.2502 34.9846 19.7638 58.3825
Component B molar flow rate output from R-501 FB,7 ξ1 kmol/hr 33.4388 48.2573 61.1145 69.8055 41.2013
Component C molar flow rate output from R-501 FC,7 ξ1-ξ2 kmol/hr 33.1010 46.7648 57.2136 59.3748 40.7852
Component D molar flow rate output from R-501 FD,7 ξ2 kmol/hr 0.3378 1.4925 3.9009 10.4307 0.4162
Component E molar flow rate output from R-501 FE,7 ξ2 kmol/hr 0.3378 1.4925 3.9009 10.4307 0.4162
Steam molar flowrate output from R-501 Fs,7 Fs,6=Fs,7 kmol/hr 600 600 600 600 1200
Total molar flow rate Stream 7 F7 FA,6 -ξ1-ξ2+(ξ1-ξ2)+ξ1+ξ2+ξ2+Fw,7 kmol/hr 733.4388 748.2573 761.1145 769.8055 1341.2013
Component A Mass flowrate ṁA,7 FA,7*MMA kg/hr 7030.6159 5334.8163 3714.1358 2098.2266 6198.1756
Component B Mass flowrate ṁB,7 FB,7*MMB kg/hr 3482.6168 5025.9523 6365.0228 7270.1784 4291.0842
Component C Mass flowrate ṁC,7 FC,7*MMC kg/hr 66.7276 94.2722 115.3357 119.6924 82.2180
Component D Mass flowrate ṁD,7 FD,7*MMD kg/hr 31.1212 137.5159 359.4252 961.0685 38.3457
Component E Mass flowrate ṁE,7 FE,7*MME kg/hr 5.4186 23.9433 62.5805 167.3341 6.6765
Steam Mass flowrate ṁs,7. FS,7*MMS kg/hr 10809.1680 10809.1680 10809.1680 10809.1680 21618.3360

Material Balance around Exchanger(E-502)

Total molar flow rate Stream 7 is equal Total molar flow rate Stream 8

Material Balance around three phase separator (V-501)

Total molar flow rate Stream 8 F8 F8=F7 kmol/hr 733.4388 748.2573 761.1145 769.8055 1341.2013
Component A Mass flowrate ṁA,7 FA,7*MMA kg/hr 7030.6159 5334.8163 3714.1358 2098.2266 6198.1756
Component B Mass flowrate ṁB,7 FB,7*MMB kg/hr 3482.6168 5025.9523 6365.0228 7270.1784 4291.0842
Component C Mass flowrate ṁC,7 FC,7*MMC kg/hr 66.7276 94.2722 115.3357 119.6924 82.2180
Component D Mass flowrate ṁD,7 FD,7*MMD kg/hr 31.1212 137.5159 359.4252 961.0685 38.3457
Component E Mass flowrate ṁE,7 FE,7*MME kg/hr 5.4186 23.9433 62.5805 167.3341 6.6765
Steam Mass flowrate ṁs,7. FS,7*MMS kg/hr 10809.1680 10809.1680 10809.1680 10809.1680 21618.3360
Total Mass flow rate Stream 8 ṁ8 ṁA,8+ṁB,8+ṁC,8+ṁD,8+ṁE,8+ṁE,8+ṁS,8 Kg/hr 21425.6680 21425.6680 21425.6680 21425.6680 32234.8360

Hydrogen Balance around separator

Component C molar flow rate FC,9 FC,7 = FC,8 kmol/hr 33.1009884106751 46.7647779426911 57.2135869777692 59.3747689636016 40.7851735714836
Component E molar flow rate FE,9 FE,7 = FE,8 kmol/hr 0.337765187864031 1.49249291306461 3.9009263848479 10.4307026557679 0.416175240525342
Total molar flow rate Stream 9 F9 FC,9 + FE,9 kmol/hr 33.4387535985391 48.2572708557557 61.1145133626171 69.8054716193695 41.2013488120089
 Component C Mass flowrate ṁC,9 FC,9*MMC kg/hr 66.7276205173116 94.2721805591122 115.335725716745 119.692409258345 82.2180156992823
Component E Mass flowrate ṁE,9 FE,9*MME kg/hr 5.41858451570121 23.9432578581225 62.580455491867 167.33413012705 6.67647464911818
Total Mass flow rate Stream 9 ṁ9 ṁC,9+ṁE,9 Kg/hr 72.1462050330129 118.215438417235 177.916181208612 287.026539385395 88.8944903484005
Total molar flow rate Stream 11 F11 FS,7=FS,8 kmol/hr 600 600 600 600 1200
Total Mass flow rate Stream 11 ṁ11 MMS*F11 kg/hr 10809.168 10809.168 10809.168 10809.168 21618.336
Total molar flow rate Stream 10 F10 F8-(F11+F9) kmol/hr 100 100 100 100 100
Component A Molar flowrate FA,10 FA,8=FA,7 kmol/hr 66.2234812135969 50.2502362311797 34.984560252535 19.7638257248627 58.3824759474658
Component B Molar flowrate FB,10 FB,8=FB,7 kmol/hr 33.4387535985391 48.2572708557557 61.1145133626171 69.8054716193695 41.2013488120089
Component D Molar flowrate FD,10 FD,8=FD,7 kmol/hr 0.337765187864031 1.49249291306461 3.9009263848479 10.4307026557679 0.416175240525342

Component A Mass flowrate ṁA,10 FA,10*MMA kg/hr 7030.61588304151 5334.81632948319 3714.13583921038 2098.22655808005 6198.1755589627
Component B Mass flowrate ṁB,10 FB,10*MMB kg/hr 3482.61676118468 5025.95229322861 6365.02278594481 7270.17844034231 4291.08422158377
Component D Mass flowrate ṁD,10 FD,10*MMD kg/hr 31.121150740795 137.515938870971 359.425193636197 961.068462192254 0.838959343870227
Total Mass flow rate Stream 10 ṁ10 ṁA,10+ṁC,10+ṁD,10 Kg/hr 10544.353794967 10498.2845615828 10438.5838187914 10329.4734606146 10490.0987398903

Distillation Train Balance

Total molar flow rate Stream 12 F12 F12=F10 kmol/hr 100 100 100 100 100
Component A molar flow rate FA,12 FA,12=FA,10 kmol/hr 66.2234812135969 50.2502362311797 34.984560252535 19.7638257248627 58.3824759474658
Component B molar flow rate FB,12 FB,12=FB,10 kmol/hr 33.4387535985391 48.2572708557557 61.1145133626171 69.8054716193695 41.2013488120089
Component D molar flow rate FD,12 FD,12=FD,10 kmol/hr 0.337765187864031 1.49249291306461 3.9009263848479 10.4307026557679 0.416175240525342
Total Mass flow rate Stream 12 ṁ12 ṁ10=ṁ12 Kg/hr 10544.353794967 10498.2845615828 10438.5838187914 10329.4734606146 10490.0987398903

T-501 Column Balance

Component D molar flow rate FD,16 95%FD,12 kmol/hr 0.32087692847083 1.41786826741138 3.7058800656055 9.90916752297946 0.395366478499075
Component D molar flow rate FD,15 FD,12 - FD,16 kmol/hr 0.016888259393202 0.074624645653231 0.195046319242395 0.521535132788394 0.020808762026267
Component D molar Purity FD,16/(FD,16 + FA,16) 99% 99% 99% 99% 99%
Component A molar flow rate FA,16 (FD,16-99%FD,16)/99%FD,16 kmol/hr 0.003241181095665 0.014321901691024 0.037433131975813 0.100092601242217 0.00399360079292
Total molar flow rate Stream 16 F16 FA,16 + FD,16 kmol/hr 0.324118109566495 1.4321901691024 3.74331319758132 10.0092601242217 0.399360079291995
Component A Mass flowrate ṁA,16 FA,16*MMA kg/hr 0.344099991021271 1.52048469302756 3.97408845621223 10.62633101088 0.423980628180348
Component D Mass flowrate ṁD,16 FD,16*MMD kg/hr 0.298637305088438 1.31959739320627 3.44902963590292 9.22237413214795 0.367964067170392
Total Mass flow rate Stream 16 ṁ16 F16MW16 Kg/hr 0.642737296109709 2.84008208623383 7.42311809211516 19.848705143028 0.79194469535074
Total molar flow rate Stream 17 F17 F17 = F16 kmol/hr 0.324118109566495 1.4321901691024 3.74331319758132 10.0092601242217 0.399360079291995
Total Mass flow rate Stream 17 ṁ17 ṁ16 = ṁ17 Kg/hr 0.642737296109709 2.84008208623383 7.42311809211516 19.848705143028 0.79194469535074

(F17/FB,12)*100% 0.009692888480767 0.029678225554514 0.061250805931657 0.143387902008592 0.009692888480767

Total molar flow rate Stream 15 F15 F12 - F16 kmol/hr 99.6758818904335 98.5678098308976 96.2566868024188 89.9907398757783 99.600639920708
Component A molar flow rate FA,15 FA,12 - FA,16 kmol/hr 66.2202400325012 50.2359143294886 34.9471271205592 19.6637331236205 58.3784823466729
Component B molar flow rate FB,15 FB,15=FB,12 kmol/hr 33.4387535985391 48.2572708557557 61.1145133626171 69.8054716193695 41.2013488120089
Component D molar flow rate FD,15 5%FD,12 kmol/hr 0.016888259393202 0.074624645653231 0.195046319242395 0.521535132788393 0.020808762026267
 Total Mass flow rate Stream 15 ṁ15 ṁ12 - ṁ16 Kg/hr 10543.7110576709 10495.4444794965 10431.1607006993 10309.6247554716 10489.306795195
Component A Mass flowrate ṁA,15 FA,15*MMA kg/hr 7030.27178305049 5333.29584479016 3710.16175075417 2087.60022706917 6197.75157833452
Component B Mass flowrate ṁB,15 FB,15*MMB kg/hr 3482.61676118468 5025.95229322861 6365.02278594481 7270.17844034231 4291.08422158377
Component D Mass flowrate ṁD,15 FD,15*MMD kg/hr 1.55605753703975 6.87579694354853 17.9712596818099 54.3174251289942 1.91728645525625

T-502 Column Balance

Component B molar flow rate FB,22 98%FB,12 kmol/hr 32.7699785265683 47.2921254386406 59.8922230953647 68.4093621869821 40.3773218357687
Component B Mass flowrate ṁB,22 FB,22*MMB kg/hr 3412.96442596098 4925.43324736403 6237.72233022591 7124.77487153546 4205.2625371521
Component B Mass Purity ṁB,22/ṁ22 % 99% 99% 99% 99% 99%
Total Mass flow rate Stream 22 ṁ22 ṁB,22/Component B Mass Purity kg/hr 3447.438814102 4975.18509834751 6300.72962649082 7196.74229448026 4247.73993651727

Component B molar flow rate FB,20 FB,15 - FB,22 kmol/hr 0.668775071970785 0.965145417115117 1.22229026725233 1.39610943238739 0.824026976240177
Component D molar flow rate FD,20 FD,15 kmol/hr 0.016888259393202 0.074624645653231 0.195046319242395 0.521535132788393 0.020808762026267
Component B Mass flowrate ṁB,20 FB,15*MMB kg/hr 69.6523352236939 100.519045864572 127.300455718896 145.403568806846 85.8216844316753
Component D Mass flowrate ṁD,20 FD,15*MMD kg/hr 1.55605753703975 6.87579694354853 17.9712596818099 48.0534231096127 1.91728645525625

Total Mass flow rate Stream 20 ṁ20 ṁ15 - ṁ22 Kg/hr 7096.27224356887 5520.25938114903 4130.43107420845 3112.88246099132 6241.56685867773
Component A Mass flowrate ṁA,20 ṁ20 - (ṁB,20 + ṁD,20) kg/hr 7025.06385080814 5412.8645383409 3985.15935880775 2919.42546907486 6153.82788779079
Component A molar flow rate FA,20 ṁA,20/MMA kmol/hr 66.1711849555705 50.9853957362681 37.5374121302477 27.4989447470904 57.9647519219215
Total molar flow rate Stream 20 F20 FB,20 + FD,20+FA,20 kmol/hr 66.8568482869345 52.0251657990365 38.9547487167424 29.4165893122662 58.8095876601879
Component A molar flow rate FA,22 FA,15 - FA,20 kmol/hr 0.049055076930756 -0.749481406779474 -2.59028500968845 -7.83521162346998 0.413730424751357

Fresh Feed F1 F2-FA,20 kmol/hr 33.8288150444295 49.0146042637319 62.4625878697523 72.5010552529096 42.0352480780785

Fresh Feed ṁ1 ṁ2-ṁA,20 kg/hr 3591.43614919186 5203.6354616591 6631.34064119225 7697.07453092514 4462.67211220921

Total molar flow rate Stream 2 ṁ2 ṁ1+ṁ20 kg/hr 10687.7083927607 10723.8948428081 10761.7717154007 10809.9569919165 10704.2389708869

ton/yr yr/day day/hr kg/ton

Total Mass flow rate Stream 22 100000 1 330 1000 kg/hr 11301.3698630137 11301.3698630137 11301.3698630137 11301.3698630137 11301.3698630137
365 8000

Scale UP Factor 3.27819302166716 2.27154761875441 1.79366050171367 1.5703452201813 2.66056068213058

SCALED UP MASS FLOW RATES

Scale UP Factor 3.27819302166716 2.27154761875441 1.79366050171367 1.5703452201813 2.66056068213058
Fresh Feed ṁ1 kg/hr 11773.4209220439 11820.3057417977 11894.3737815151 12087.0641990175 11873.2099589844
Component A Mass flowrate ṁA,1 kg/hr 11773.4209220439 11820.3057417977 11894.3737815151 12087.0641990175 11873.2099589844
Stream 2 Mass flow rate ṁ2 kg/hr 35036.3710707618 24359.8377939535 19302.9648543736 16975.3642926215 28479.2773380717
Component A Mass flowrate ṁA,2 kg/hr 61625.06160028 39145.9669134381 28482.4913794504 23565.369321989 47962.0281104102
Component B Mass flowrate ṁB,2 kg/hr 228.333799273135 228.333799273135 228.333799273134 228.333799273134 228.333799273134
Component D Mass flowrate ṁD,2 kg/hr 5.1010569592363 15.6187001741565 32.2343386573017 75.46046329353 5.1010569592363
Stream 3 Mass flow rate ṁ3 kg/hr 35036.3710707618 24359.8377939535 19302.9648543736 16975.3642926215 28479.2773380717
 Component A Mass flowrate ṁA,3 kg/hr 61625.06160028 39145.9669134381 28482.4913794504 23565.369321989 47962.0281104102
Component B Mass flowrate ṁB,3 kg/hr 228.333799273135 228.333799273135 228.333799273134 228.333799273134 228.333799273134
Component D Mass flowrate ṁD,3 kg/hr 5.1010569592363 15.6187001741565 32.2343386573017 75.46046329353 5.1010569592363
Stream 5 Mass flow rate ṁ5 kg/hr 35434.539107628 24553.5398311164 19387.9776979873 16974.1253029367 57516.8947746881
Total Mass flow rate Stream 6 to R501 ṁ6 kg/hr 231017.24597733 111109.066469463 69398.4154302424 53312.4187139796 228798.034336943
Component A Mass flowrate ṁA,6 kg/hr 61625.06160028 39145.9669134381 28482.4913794504 23565.369321989 47962.0281104102
Component B Mass flowrate ṁB,6 kg/hr 228.333799273135 228.333799273135 228.333799273134 228.333799273134 228.333799273134
Component D Mass flowrate ṁD,6 kg/hr 5.1010569592363 15.6187001741565 32.2343386573017 75.46046329353 5.1010569592363
Steam Mass flowrate ṁs,6 kg/hr 35434.539107628 24553.5398311164 19387.9776979873 16974.1253029367 57516.8947746881
Total molar flow rate Stream 7 is equal Total molar flow rate Stream 8
Total Mass flow rate Stream 8 ṁ8 Kg/hr 328310.281541471 175052.525713464 117529.452645611 94155.707601472 334510.392078274
Component A Mass flowrate ṁA,7 kg/hr 61625.06160028 39145.9669134381 28482.4913794504 23565.369321989 47962.0281104102
Component B Mass flowrate ṁB,7 kg/hr 228.333799273135 228.333799273135 228.333799273134 228.333799273134 228.333799273134
Component C Mass flowrate ṁC,7 kg/hr 5.1010569592363 15.6187001741565 32.2343386573017 75.46046329353 5.1010569592363
Component D Mass flowrate ṁD,7 kg/hr 35036.3710707618 24359.8377939535 19302.9648543736 16975.3642926215 28479.2773380717
Component E Mass flowrate ṁE,7 kg/hr 61625.06160028 39145.9669134381 28482.4913794504 23565.369321989 47962.0281104102
Steam Mass flowrate ṁs,7. kg/hr 228.333799273135 228.333799273135 228.333799273134 228.333799273134 228.333799273134
Total Mass flow rate Stream 9 ṁ9 Kg/hr 236.509185878991 268.531997636678 319.121226849619 450.730754189035 236.509185878991
Component C Mass flowrate ṁC,9 kg/hr 218.746019932305 214.143747263837 206.873135654607 187.958402770827 218.746019932305
Component E Mass flowrate ṁE,9 kg/hr 17.7631659466854 54.3882503728409 112.248091195012 262.772351418208 17.7631659466854
Total Mass flow rate Stream 10 ṁ10 Kg/hr 34566.4270286504 23847.3532968695 18723.2754895935 16220.8392758658 27909.5442590198
Component A Mass flowrate ṁA,10 kg/hr 23047.715925809 12118.2893297297 6661.89875279081 3294.94004633847 16490.6221931189
Component B Mass flowrate ṁB,10 kg/hr 11416.6899636567 11416.6899636567 11416.6899636567 11416.6899636567 11416.6899636567
Component D Mass flowrate ṁD,10 kg/hr 102.021139184726 312.37400348313 644.686773146034 1509.2092658706 2.2321022442072
Total Mass flow rate Stream 11 ṁ11 kg/hr 35434.539107628 24553.5398311164 19387.9776979873 16974.1253029367 57516.8947746881
Total Mass flow rate Stream 12 ṁ12 Kg/hr 34566.4270286504 23847.3532968695 18723.2754895935 16220.8392758658 27909.5442590198
Component A Mass flowrate ṁA,16 kg/hr 1.12802618932166 3.45385338379927 7.12816549422413 16.6870081109998 1.12802618932166
Component D Mass flowrate ṁD,16 kg/hr 0.978990729550405 2.99752831625224 6.18638822715895 14.4823111371422 0.978990729550402
Total Mass flow rate Stream 16 ṁ16 Kg/hr 2.10701691887207 6.45138170005151 13.3145537213831 31.169319248142 2.10701691887206
Total Mass flow rate Stream 17 ṁ17 Kg/hr 2.10701691887207 6.45138170005151 13.3145537213831 31.169319248142 2.10701691887206

Total Mass flow rate Stream 15 ṁ15 Kg/hr 305262.565615662 162934.236383735 110867.55389282 90860.7675551335 318019.769885155
Component A Mass flowrate ṁA,15 kg/hr 23046.5878996197 12114.8354763459 6654.77058729659 3278.25303822747 16489.4941669296
Component B Mass flowrate ṁB,15 kg/hr 11416.6899636567 11416.6899636567 11416.6899636567 11416.6899636567 11416.6899636567
Component D Mass flowrate ṁD,15 kg/hr 5.1010569592363 15.6187001741565 32.2343386573017 85.2971089238719 5.1010569592363

Component B Mass flowrate ṁB,20 kg/hr 228.333799273135 228.333799273135 228.333799273134 228.333799273134 228.333799273134
Component D Mass flowrate ṁD,20 kg/hr 18320.120362488 81274.0220912618 213756.879980119 580824.810108442 22764.3446347745

Total Mass flow rate Stream 20 ṁ20 Kg/hr 248627627.544826 134472623.10534 79729565.8588583 52842313.7754396 177755313.5924
Component A Mass flowrate ṁA,20 kg/hr 432919992.551952 211891816.124816 113507267.082978 68797339.38677 295150066.140848
Total Mass flow rate Stream 22 ṁ22 ṁB,22/Component B Mass Purity kg/hr 11301.3698630137 11301.3698630137 11301.3698630137 11301.3698630137 11301.3698630137
Component B Mass flowrate ṁB,22 FB,22*MMB kg/hr 11188.3561643836 11188.3561643836 11188.3561643836 11188.3561643836 11188.3561643836

Costing
 Trail two Trail Three Trail Four

2 3 4 1 2 3 4 1 2 3 4
1.2 1.2 1.2 1.4 1.4 1.4 1.4 1.4 1.4 1.4 1.4
850 900 950 800 850 900 950 800 850 900 950
0.03 0.06 0.13 0.01 0.03 0.06 0.13 0.01 0.03 0.06 0.13
0.3821 0.9107 0.04856024922 0.14473554073 0.38209390007 0.91072363747 0.0485602492 0 0.3820939001 0.9107236375
100 100 100 100 100 100 100 100 100 100 100
100 100 100 100 100 100 100 100 100 100 100
10616.5 10616.5 10616.5 10616.5 10616.5 10616.5 10616.5 10616.5 10616.5 10616.5 10616.5
100 100 100 100 100 100 100 100 100 100 100
12 12 12 12 12 12 12 6 6 6 6
100 100 100 100 100 100 100 100 100 100 100
1200 1200 1200 1200 1200 1200 1200 600 600 600 600
1300 1300 1300 1300 1300 1300 1300 700 700 700 700
21618.336 21618.336 21618.336 21618.336 21618.336 21618.336 21618.336 10809.168 10809.168 10809.168 10809.168
10616.5 10616.5 10616.5 10616.5 10616.5 10616.5 10616.5 10616.5 10616.5 10616.5 10616.5
21618.3360 21618.3360 21618.3360 21618.3360 21618.3360 21618.3360 21618.3360 10809.1680 10809.1680 10809.1680 10809.1680
32234.8360 32234.8360 32234.8360 32234.8360 32234.8360 32234.8360 32234.8360 21425.6680 21425.6680 21425.6680 21425.6680
0.1447 0.3821 0.9107 0.0486 0.1447 0.3821 0.9107 0.0486 0.1447 0.3821 0.9107
0.1447 0.3821 0.9107 0.0486 0.1447 0.3821 0.9107 0.0486 0.1447 0.3821 0.9107
0.1447 0.3821 0.9107 0.0486 0.1447 0.3821 0.9107 0.0486 0.1447 0.3821 0.9107
(P+Keq)Xe + 1200KeqXe -130000Keq
2
(P+Keq)Xe + 1200KeqXe -130000Keq
2
(P+Keq)Xe + 600KeqXe -70000Keq
2

1.3447 1.5821 2.1107 1.4486 1.5447 1.7821 2.3107 1.4486 1.5447 1.7821 2.3107
173.6826 458.5127 1092.8684 58.2723 173.6826 458.5127 1092.8684 29.1361 86.8413 229.2563 546.4342
-18815.6203 -49672.2070 -118394.0729 -6312.8324 -18815.6203 -49672.2070 -118394.0729 -3399.2174 -10131.4879 -26746.5730 -63750.6546
 70.1895 83.9916 91.9899 48.8975 67.6408 82.1217 90.8731 39.4179 57.6165 74.0464 8.56E+01
56.1516 67.1932 73.5919 39.1180 54.1126 65.6973 72.6985 31.5343 46.0932 59.2371 68.5177
56.1516 67.1932 73.5919 39.1180 54.1126 65.6973 72.6985 31.5343 46.0932 59.2371 68.5177
ξ2 ξ2 ξ2 ξ2 ξ2 ξ2 ξ2 ξ2 ξ2 ξ2 ξ2
0.03 0.06 0.13 0.01 0.03 0.06 0.13 0.01 0.03 0.06 0.13
1.7366469952521 4.28893074737429 10.9964920781855 0.39513151787 1.67358633305 4.19344660833 10.8629884998 0.3185285379 1.4255625354 3.781090521 10.23827528

42.1118 28.5178 15.4116 60.4868 44.2138 30.1092 16.4386 68.1471 52.4812 36.9818 21.2440
56.1516 67.1932 73.5919 39.1180 54.1126 65.6973 72.6985 31.5343 46.0932 59.2371 68.5177
54.4149 62.9043 62.5954 38.7229 52.4390 61.5039 61.8355 31.2158 44.6676 55.4560 58.2794
1.7366 4.2889 10.9965 0.3951 1.6736 4.1934 10.8630 0.3185 1.4256 3.7811 10.2383
1.7366 4.2889 10.9965 0.3951 1.6736 4.1934 10.8630 0.3185 1.4256 3.7811 10.2383
1200 1200 1200 1200 1200 1200 1200 600 600 600 600
1356.1516 1367.1932 1373.5919 1339.1180 1354.1126 1365.6973 1372.6985 731.5343 746.0932 759.2371 768.5177
4470.7957 3027.5945 1636.1725 6421.5862 4693.9569 3196.5457 1745.1987 7234.8418 5571.6718 3926.1754 2255.3731
5848.1383 6998.1177 7664.5325 4074.1074 5635.7823 6842.3191 7571.4808 3284.2722 4800.5650 6169.4903 7136.0570
109.6940 126.8076 126.1848 78.0607 105.7108 123.9844 124.6529 62.9273 90.0446 111.7926 117.4843
160.0119 395.1753 1013.1994 36.4068 154.2016 386.3775 1000.8986 29.3487 131.3491 348.3837 943.3385
27.8601 68.8050 176.4108 6.3389 26.8484 67.2732 174.2691 5.1100 22.8695 60.6580 164.2471
21618.3360 21618.3360 21618.3360 21618.3360 21618.3360 21618.3360 21618.3360 10809.1680 10809.1680 10809.1680 10809.1680

1356.1516 1367.1932 1373.5919 1339.1180 1354.1126 1365.6973 1372.6985 731.5343 746.0932 759.2371 768.5177
4470.7957 3027.5945 1636.1725 6421.5862 4693.9569 3196.5457 1745.1987 7234.8418 5571.6718 3926.1754 2255.3731
5848.1383 6998.1177 7664.5325 4074.1074 5635.7823 6842.3191 7571.4808 3284.2722 4800.5650 6169.4903 7136.0570
109.6940 126.8076 126.1848 78.0607 105.7108 123.9844 124.6529 62.9273 90.0446 111.7926 117.4843
160.0119 395.1753 1013.1994 36.4068 154.2016 386.3775 1000.8986 29.3487 131.3491 348.3837 943.3385
27.8601 68.8050 176.4108 6.3389 26.8484 67.2732 174.2691 5.1100 22.8695 60.6580 164.2471
21618.3360 21618.3360 21618.3360 21618.3360 21618.3360 21618.3360 21618.3360 10809.1680 10809.1680 10809.1680 10809.1680
32234.8360 32234.8360 32234.8360 32234.8360 32234.8360 32234.8360 32234.8360 21425.6680 21425.6680 21425.6680 21425.6680

54.4149391845657 62.9043176281562 62.5954164450558 38.7228887513 52.4390384356 61.5038835888 61.8354729987 31.215796714 44.667626108 55.455994309 58.279413132
1.7366469952521 4.28893074737429 10.9964920781855 0.39513151787 1.67358633305 4.19344660833 10.8629884998 0.3185285379 1.4255625354 3.781090521 10.23827528
56.1515861798178 67.1932483755305 73.5919085232413 39.1180202692 54.1126247687 65.6973301972 72.6984614985 31.534325252 46.093188643 59.23708483 68.517688412
109.693987603382 126.807555820248 126.184848103259 78.060696976 105.710808802 123.984448849 124.652893309 62.92730028 90.044574118 111.79262981 117.48430334
27.860089955452 68.8049999575221 176.410784304608 6.33888157018 26.8484418045 67.2731994763 174.269058488 5.1099813281 22.869529951 60.65799344 164.24712165
137.554077558834 195.61255577777 302.595632407867 84.3995785462 132.559250606 191.257648325 298.921951797 68.037281609 112.91410407 172.45062325 281.73142499
1200 1200 1200 1200 1200 1200 1200 600 600 600 600
21618.336 21618.336 21618.336 21618.336 21618.336 21618.336 21618.336 10809.168 10809.168 10809.168 10809.168
100 99.9999999999998 100 100 100 100 100 100 100 100 100
42.1117668249301 28.5178208770952 15.4115993985732 60.4868482129 44.2137888983 30.1092231945 16.4385500017 68.14714621 52.481248821 36.981824649 21.244036308
56.1515861798178 67.1932483755305 73.5919085232413 39.1180202692 54.1126247687 65.6973301972 72.6984614985 31.534325252 46.093188643 59.23708483 68.517688412
1.7366469952521 4.28893074737429 10.9964920781855 0.39513151787 1.67358633305 4.19344660833 10.8629884998 0.3185285379 1.4255625354 3.781090521 10.23827528

4470.7957249687 3027.59445341681 1636.17245014952 6421.58624053 4693.95689839 3196.54568045 1745.19866093 7234.8417774 5571.6717811 3926.1754139 2255.3731146
5848.13828723219 6998.11768825294 7664.53251181608 4074.10738718 5635.78225055 6842.31912638 7571.48079043 3284.2722248 4800.5650352 6169.4902564 7136.0569525
3.5008719447888 8.64596971501688 22.1676084505726 0.79653772424 3.37374921707 8.4534851488 21.8984812569 0.642115309 2.8737630038 7.6222247596 20.639134371
10322.4348841457 10034.3581113848 9322.87257041618 10496.4901654 10333.1128982 10047.318292 9338.57793261 10519.756117 10375.110579 10103.287895 9412.0692016

100 99.9999999999998 100 100 100 100 100 100 100 100 100
42.1117668249301 28.5178208770952 15.4115993985732 60.4868482129 44.2137888983 30.1092231945 16.4385500017 68.14714621 52.481248821 36.981824649 21.244036308
56.1515861798178 67.1932483755305 73.5919085232413 39.1180202692 54.1126247687 65.6973301972 72.6984614985 31.534325252 46.093188643 59.23708483 68.517688412
1.7366469952521 4.28893074737429 10.9964920781855 0.39513151787 1.67358633305 4.19344660833 10.8629884998 0.3185285379 1.4255625354 3.781090521 10.23827528
10322.4348841457 10034.3581113848 9322.87257041618 10496.4901654 10333.1128982 10047.318292 9338.57793261 10519.756117 10375.110579 10103.287895 9412.0692016

1.64981464548949 4.07448421000558 10.4466674742762 0.37537494198 1.5899070164 3.98377427791 10.3198390748 0.302602111 1.3542844086 3.592035995 9.726361516
0.086832349762605 0.214446537368715 0.549824603909276 0.01975657589 0.08367931665 0.20967233042 0.54314942499 0.0159264269 0.0712781268 0.1890545261 0.511913764
99% 99% 99% 99% 99% 99% 99% 99% 99% 99% 99%
0.016664794398884 0.041156406161672 0.105521893679557 0.00379166608 0.01605966683 0.04024014422 0.10424079874 0.003056587 0.0136796405 0.0362831919 0.0982460759
1.66647943988838 4.11564061616725 10.5521893679558 0.37916660806 1.60596668323 4.02401442213 10.4240798735 0.305658698 1.3679640491 3.6283191869 9.8246075919
1.7692178973575 4.36936986015394 11.2027318424902 0.40254222944 1.70497452925 4.27209491126 1.04240798735 0.3245025567 1.4522990327 3.8520050647 10.43029465
1.53546782553801 3.79208623661475 9.72262055904239 0.34935812183 1.47971232766 3.70766330913 9.60458249501 0.2816290949 1.260420461 3.3430759713 9.0522382064
3.30468572289551 8.16145609676869 20.9253524015326 0.75190035128 3.18468685691 7.97975822039 10.6469904824 0.6061316516 2.7127194937 7.1950810361 19.482532856
1.66647943988838 4.11564061616725 10.5521893679558 0.37916660806 1.60596668323 4.02401442213 10.4240798735 0.305658698 1.3679640491 3.6283191869 9.8246075919
3.30468572289551 8.16145609676869 20.9253524015326 0.75190035128 3.18468685691 7.97975822039 10.6469904824 0.6061316516 2.7127194937 7.1950810361 19.482532856

0.029678225554514 0.061250805931657 0.143387902008592 0.00969288848 0.02967822555 0.06125080593 0.14338790201 0.0096928885 0.0296782256 0.0612508059 0.143387902

98.3335205601116 95.8843593838325 89.4478106320442 99.6208333919 98.3940333168 95.9759855779 89.5759201265 99.694341302 98.632035951 96.371680813 90.175392408
42.0951020305312 28.4766644709335 15.3060775048936 60.4830565469 44.1977292314 30.0689830503 16.334309203 68.144089623 52.467569181 36.945541457 21.145790232
56.1515861798178 67.1932483755305 73.5919085232413 39.1180202692 54.1126247687 65.6973301972 72.6984614985 31.534325252 46.093188643 59.23708483 68.517688412
0.086832349762605 0.214446537368714 0.549824603909274 0.01975657589 0.08367931665 0.20967233042 0.54314942499 0.0159264269 0.0712781268 0.1890545261 0.511913764
10319.1301984228 10026.196655288 9301.94721801465 10495.7382651 10329.9282113 10039.3385338 9327.93094213 10519.149986 10372.39786 10096.092814 9392.5866687
4469.02650707135 3023.22508355665 1624.96971830703 6421.1836983 4692.25192386 3192.27358553 1734.13193653 7234.5172748 5570.2194821 3922.3234088 2244.94282
5848.13828723219 6998.11768825294 7664.53251181608 4074.10738718 5635.78225055 6842.31912638 7571.48079043 3284.2722248 4800.5650352 6169.4902564 7136.0569525
8.00059551201379 19.7587651276243 50.6599702813264 1.82033968744 7.71008002305 19.3188772423 50.0449298424 1.4674358104 6.5674539809 17.419185324 47.166925391

55.0285544562215 65.8493834080199 72.1200703527765 38.3356598638 53.0303722733 64.3833835932 71.2444922686 30.903638747 45.17132487 58.052343133 67.147334644
5731.17552148754 6858.15533448788 7511.24186157976 3992.62523943 5523.06660554 6705.47274386 7420.05117462 3218.5867803 496.88457357 6046.1004513 6993.3358135
99% 99% 99% 99% 99% 99% 99% 99% 99% 99% 99%
5789.06618332075 6927.42963079584 7587.11299149471 4032.95478731 5578.85515711 6773.20479177 7495.00118648 3251.0977579 501.90360967 6107.172173 7063.9755692

1.12303172359636 1.34386496751061 1.47183817046482 0.78236040538 1.08225249537 1.31394660394 1.45396922997 0.630686505 0.9218637729 1.1847416966 1.3703537682
0.086832349762605 0.214446537368714 0.549824603909274 0.01975657589 0.08367931665 0.20967233042 0.54314942499 0.0159264269 0.0712781268 0.1890545261 0.511913764
116.962765744644 139.962353765059 153.290650236321 81.4821477435 112.715645011 136.846382528 151.429615809 65.685444496 96.011300704 123.38980513 142.72113905
8.00059551201379 19.7587651276243 50.6599702813264 1.82033968744 7.71008002305 19.3188772423 50.0449298424 0.2070435496 6.5674539809 17.419185324 47.166925391

4530.06401510203 3098.76702449216 1714.83422651993 6462.78347777 4751.07305419 3266.13374198 1832.92975565 7268.0522279 9870.4942502 3988.920641 2328.6110995
4405.10065384538 2939.04590559947 1510.88360600229 6379.48099034 4630.64732915 3109.96848221 1631.45521 7202.1597399 9767.9154955 3848.1116506 2138.7230351
41.4929652319067 27.6837555277113 14.2314661706051 60.0902462237 43.6174570636 29.2937265786 15.3671662977 67.83930429 92.006927853 36.246518632 20.145274197
42.7028293052657 29.2420670325907 16.2531289449792 60.892363205 44.7833888756 30.8173455129 17.3642849527 68.485917222 93.000069752 37.620314855 22.027541729
0.602136798624485 0.792908943222177 1.07461133428854 0.39281032316 0.5802721679 0.77525647172 0.96714290524 0.3047853333 -39.53935867 0.6990228255 1.0005160356

58.5070347680933 72.3162444722887 85.7685338293949 39.9097537763 56.3825429364 70.7062734214 84.6328337023 32.16069571 7.9930721474 63.753481368 79.854725803
6211.39934615463 7677.45409440053 9105.61639399771 4237.01900966 5985.85267085 7506.53151779 8985.04479 3414.3402601 848.58450453 6768.3883494 8477.7769649

10741.4633612567 10776.2211188927 10820.4506205176 10699.8024874 10736.925725 10772.6652598 10817.9745457 10682.392488 10719.078755 10757.30899 10806.388064

11301.3698630137 11301.3698630137 11301.3698630137 11301.369863 11301.369863 11301.369863 11301.369863 11301.369863 11301.369863 11301.369863 11301.369863

1.95219220253083 1.63139439378403 1.48954811608615 2.80225553199 2.0257507221 1.66854099506 1.50785431274 3.4761704214 22.51701252 1.8505078198 1.599859704

1.95219220253083 1.63139439378403 1.48954811608615 2.80225553199 2.0257507221 1.66854099506 1.50785431274 3.4761704214 22.51701252 1.8505078198 1.599859704
12125.8453703682 12524.9555681393 13563.2537454825 11873.209959 12125.8453704 12524.9555681 13548.1385368 11868.828621 19107.587913 12524.955568 13563.253745
12125.8453703682 12524.9555681393 13563.2537454825 11873.209959 12125.8453704 12524.9555681 13548.1385368 11868.828621 19107.587913 12524.955568 13563.253745
20969.4010176159 17580.2667195386 16117.5818369953 29983.5807117 21750.3350406 17974.633612 16311.9295738 37133.816797 241361.63053 19906.484407 17288.70481
32271.5839289278 25227.8853097254 22453.652893528 51148.7041865 33944.477186 26087.5117327 22888.6158966 66294.005646 650190.07179 30298.488922 25120.959924
228.333799273134 228.333799273134 228.333799273133 228.333799273 228.333799273 228.333799273 228.333799273 228.33379927 2161.8876601 228.33379927 228.33379927
15.6187001741565 32.2343386573017 75.46046329353 5.10105695924 15.6187001742 32.2343386573 75.4604632935 0.7197186632 147.87944352 32.234338657 75.460463294
20969.4010176159 17580.2667195386 16117.5818369953 29983.5807117 21750.3350406 17974.633612 16311.9295738 37133.816797 241361.63053 19906.484407 17288.70481
32271.5839289278 25227.8853097254 22453.652893528 51148.7041865 33944.477186 26087.5117327 22888.6158966 66294.005646 650190.07179 30298.488922 25120.959924
228.333799273134 228.333799273134 228.333799273133 228.333799273 228.333799273 228.333799273 228.333799273 228.33379927 2161.8876601 228.33379927 228.33379927
15.6187001741565 32.2343386573017 75.46046329353 5.10105695924 15.6187001742 32.2343386573 75.4604632935 0.7197186632 147.87944352 32.234338657 75.460463294
42203.1469708916 35268.0321533395 32201.5516617174 60580.1016485 43793.3597626 36071.079861 32597.3011718 37574.510081 243390.17119 20002.44991 17293.152317
123324.955597169 86216.4185022361 71973.6742739226 253782.579892 132775.187077 90177.488537 73747.9945124 259698.87612 10915162.389 73851.795033 55326.119705
32271.5839289278 25227.8853097254 22453.652893528 51148.7041865 33944.477186 26087.5117327 22888.6158966 66294.005646 650190.07179 30298.488922 25120.959924
228.333799273134 228.333799273134 228.333799273133 228.333799273 228.333799273 228.333799273 228.333799273 228.33379927 2161.8876601 228.33379927 228.33379927
15.6187001741565 32.2343386573017 75.46046329353 5.10105695924 15.6187001742 32.2343386573 75.4604632935 0.7197186632 147.87944352 32.234338657 75.460463294
42203.1469708916 35268.0321533395 32201.5516617174 60580.1016485 43793.3597626 36071.079861 32597.3011718 37574.510081 243390.17119 20002.44991 17293.152317

198043.638996436 146972.904103231 126932.673091735 365744.820583 210756.976525 152596.648269 129537.705843 363796.44537 11811052.399 124413.302 98044.026209
32271.5839289278 25227.8853097254 22453.652893528 51148.7041865 33944.477186 26087.5117327 22888.6158966 66294.005646 650190.07179 30298.488922 25120.959924
228.333799273134 228.333799273134 228.333799273133 228.333799273 228.333799273 228.333799273 228.333799273 228.33379927 2161.8876601 228.33379927 228.33379927
15.6187001741565 32.2343386573017 75.46046329353 5.10105695924 15.6187001742 32.2343386573 75.4604632935 0.7197186632 147.87944352 32.234338657 75.460463294
20969.4010176159 17580.2667195386 16117.5818369953 29983.5807117 21750.3350406 17974.633612 16311.9295738 37133.816797 241361.63053 19906.484407 17288.70481
32271.5839289278 25227.8853097254 22453.652893528 51148.7041865 33944.477186 26087.5117327 22888.6158966 66294.005646 650190.07179 30298.488922 25120.959924
228.333799273134 228.333799273134 228.333799273133 228.333799273 228.333799273 228.333799273 228.333799273 228.33379927 2161.8876601 228.33379927 228.33379927
268.531997636678 319.12122684962 450.730754189035 236.509185879 268.531997637 319.12122685 450.730754189 236.50918588 2542.4882951 319.12122685 450.73075419
214.143747263837 206.873135654607 187.958402770827 218.746019932 214.143747264 206.873135655 187.958402771 218.74601993 2027.5348028 206.87313565 187.95840277
54.3882503728409 112.248091195012 262.772351418208 17.7631659467 54.3882503728 112.248091195 262.772351418 17.763165947 514.95349224 112.2480912 262.77235142
20151.3768919615 16369.9955681344 13886.8672737747 29413.8476326 20932.310915 16764.3624606 14081.2150105 36568.465056 233616.49482 18696.213256 15057.990247
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