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Reactor Volume

Length, cm 65.000 X-sec Area, cm2 0.860
O.D., cm 1.510 Voidage 0.500
I.D., cm 1.120 Reactor Volume, cm3 55.870
Thickness, cm 0.190 Catalyst Bed Vol, cm3 1.633

Thermowell Moleuclar Weights
Length, cm 45.000 MCH, g mol−1 98.190
O.D., cm 0.400 Toluene, g mol−1 92.140
I.D., cm 0.200 H2, g mol−1 2.020
Thickness, cm 0.100
Max Op Temp, °C 600.000 Densities
ρMCH, g ml−1 0.770
Catalyst Data Catalyst density, g cm −3
2.486
Manufacturer Owncat
Metal Pt Other Data
Loading, % 1.000 Pressure, Pa 101325
Support a-Al2O3 R, J mol−1 K−1 8.314
Smallest Particle Size, mm 0.500
largest Particle Size, mm 0.700 Initial Flows and Mol Fractions
Particle type Powder MCH (l), ml h−1 15 30
Mass, g 2.030 H2 (g), ml min−1 400 800
MCH (l), mol s−1 3.27E-05 6.53E-05
H2 (g), mol s−1 2.77E-04 5.53E-04
Mole Fraction 0.106 0.106

7.5
200
1.63E-05
1.38E-04
0.106

Experimental Data
Run Number 1 2 3 4 5
Furnace set temperature, K 340 340 340 360 360
Length of catalyst bed, cm 0.019 0.019 0.019 0.019 0.019
Flow MCH (l), ml h−1 15 7.5 30 30 15
Flow H2 (g), ml min−1 400 200 800 800 400
Flow MCH (l), m s3 −1
4.17E-09 2.08E-09 8.33E-09 8.33E-09 4.17E-09
Flow H2 (g), m3 s−1 6.67E-06 3.33E-06 1.33E-05 1.33E-05 6.67E-06
Total flow, m3 s−1 6.67E-06 3.34E-06 1.33E-05 1.33E-05 6.67E-06
V / v, s 8.375 16.751 4.188 4.188 8.375
MCH (l), mol s−1 3.27E-05 1.63E-05 6.53E-05 6.53E-05 3.27E-05
H2 (g), mol s−1 0.000 0.000 0.001 0.001 0.000
Mole Fraction 0.106 0.106 0.106 0.106 0.106

Wall temperature coefficients
a' 339.9675 339.9675 339.6975 361.2903 361.2903
b' 0.1341 0.1341 0.1341 -0.4019 -0.4019
c' 45.7382 45.7382 45.7382 -145.1353 -145.1353
d' 0.0345 0.0345 0.0345 0.0885 0.0885
e' 11.6571 11.6571 11.6571 31.9302 31.9302
f' 0 0 0 0 0
g' 0 0 0 0 0

Central well temperature coefficients
a 313.0981 313.0549 317.2354 337.3289 329.7763
b -0.0771 -0.8567 -0.6035 -0.6408 -0.5409
c -59.3777 -305.712 -211.9726 -246.8868 -222.2354
d 0.7085 1.9477 0.2874 0.7823 1.0325
e 214.4353 628.0431 90.7628 260.6541 346.2341
f -0.3066 -0.9692 -0.0166 -0.2808 -0.4288
g -105.5637 -332.0758 -4.2687 -99.7725 -156.343
h 0.1276 0.2961 0.0002 0.0748 0.1272
i 43.1427 100.8024 0 26.0762 45.8798
j 0 0 0 0 0
k 0 0 0 0 0

Observed conversion, Xobs, % 0.5335 0.7891 0.3763 0.4465 0.6405

ln(1-Xobs) -0.762497 -1.556371 -0.472086 -0.591494 -1.023041

6 7 8 9
360 380 380 380
0.019 0.019 0.019 0.019
7.5 30 15 7.5
200 800 400 200
2.08E-09 8.33E-09 4.17E-09 2.08E-09
3.33E-06 1.33E-05 6.67E-06 3.33E-06
3.34E-06 1.33E-05 6.67E-06 3.34E-06
16.751 4.188 8.375 16.751
1.63E-05 6.53E-05 3.27E-05 1.63E-05
0.000 0.001 0.000 0.000
0.106 0.106 0.106 0.106

361.2903 381.8133 381.8133 381.8133
-0.4019 0.3455 0.3455 0.3455
-145.1353 131.9629 131.9629 131.9629
0.0885 0.0687 0.0687 0.0687
31.9302 26.1593 26.1593 26.1593
0 0 0 0
0 0 0 0

332.216 347.3515 345.3763 349.9824
-2.436 -1.5467 0.1955 -1.3861
-847.79 -577.3178 16.6843 -532.3508
3.2636 1.3852 0.7075 2.6098
1143.0322 528.712 255.5012 947.6669
-1.6673 -0.4837 -0.317 -1.3659
-608.0976 -204.8563 -125.0758 -524.6821
0.4436 0.1227 0.1515 0.4172
158.922 47.9911 58.4108 159.6367
-0.0008 0 0 0
0 0 0 0

0.9213 0.5274 0.7244 0.947

-2.5421121 -0.749506 -1.288805 -2.937463

Determining k
18
f(x) = - 5.6496637261x + 2.2863733132
V/v, s
16
From this graph, the
14 gradient is -1/k.

12 k = 0.1770 s−1

10

8

6

4

2
ln(1-XOBS)
0
-3.5 -3.0 -2.5 -2.0 -1.5 -1.0 -0.5 0.0

8 0.1 1.8 1.1 0.6 1.2 1.4 0.0 1.3 0.2 0.6 0. K 580 560 540 520 500 0.4 1. cm Wall Central Well Average .7 1.5 0. 620 600 Temperature.9 1.3 1.0 0.5 1.7 0.9 Distance in Catalyst Bed (z).

121 597.133 582.0345 d 0.00E-06 1.001 9.131 582. cm TW .6571 e 214.001 1.417 597. K TAVE.4353 f' 0 f -0.627 0.04E-06 1. s−1 xMCH 0.03E-06 1.518 598.106 d' 0.133 613.106 0.038 613.TW Coefficients TCW Coefficients Other a' 339.010 z.001 1.106 0. mol s−1 3.209 598.323 0.118 586.057 613. mol s−1 2.683 0.7085 e' 11.02E-06 1.000 613.120 585.348 0.276 0.106 0.7382 c -59.716 XPRED 0.04E-06 1.1341 b -0.1276 i 43.128 583.0771 H2 (g).709 596.000 1.0981 MCH (l).001 1.11E-07 0.000 1.77E-04 c' 45.000 1.3777 Mole Fraction 0.095 613.27E-05 b' 0.01E-06 1.009 0.822 597. K X kPRED.08E-07 0.105 .05E-07 0.138 580.07E-07 0.3066 g' 0 g -105.152 613. K 585.000 1.123 584.02E-06 1.136 581.06E-07 0.668 0.94E-07 1.076 613.106 0.1427 j 0 k 0 TAVE.106 0.114 613.001 1.5637 h 0. s−1 Rate.106 0.248 599.126 584.924 0.05E-06 1.06E-07 0.10E-07 0.019 613.976 0.106 0. K TCW.106 0.575 599.10E-07 0.09E-07 0.895 599.9675 a 313.

002 9.83E-07 1.022 z.140 579.02E-07 0.636 594.153 575.61E-07 1.05E-06 1.131 582.577 0.005 9.66E-07 9.746 0.6571 e 628.18E-08 0.038 613.418 613.307 596.923 594.003 9.661 0.251 592.138 580.04E-06 1.513 613.208 0.205 599.151 575.209 613.136 581.094 0.754 589.145 578.03E-07 9.399 613.002 9.92E-08 .9692 g' 0 g -332.74E-08 0.005 9.178 593.024 0.21E-07 9.167 569.1341 b -0.152 613.154 574.563 596.7382 c -305.000 1.028 598.740 589.000 1.005 9.97E-07 9.149 576.54E-07 1.174 566.247 613.15E-07 9.98E-07 1.01E-07 0.880 592.05E-07 0.057 613.57E-07 8.TW Coefficients TCW Coefficients Other a' 339.02E-06 1.53E-07 8.451 591.823 595. cm TW.10E-07 0.00E-07 0.007 8.11E-07 0.570 613.352 0.361 613.037 591.007 8.942 0.160 572.158 573.220 594.163 571.304 0.81E-07 9.213 0.03E-07 0.551 613.323 613.168 568.172 567.161 571.207 0.880 591.253 590.128 583.053 597.004 9.0758 h 0.004 9.465 0.476 0.118 586.616 0.35E-08 0. s−1 Rate.003 9.841 0.120 585.001 1.007 8.323 590.142 578.589 613.006 8.892 0.9675 a 313.005 9.522 592. K TAVE.171 613.532 613.114 613.04E-06 1.133 581.001 1.06E-07 0.12E-08 0.9477 e' 11.019 613.168 0.266 613.96E-08 0.09E-07 0.537 0.004 9.97E-08 0.388 XPRED 0.171 567.800 597.456 613.003 9. K X kPRED. K 588.601 0.228 613.309 0.164 570.712 Mole Fraction d' 0.01E-06 1.841 0.001 1.252 0.007 8.34E-07 9.67E-08 0.8567 H2 (g).304 613.002 1.0549 MCH (l). K TCW.03E-07 0.000 613.002 9.133 613.08E-07 0.68E-07 1.01E-06 1.62E-07 9.2961 i 100.47E-08 0.847 593.546 597.467 0.076 613.02E-08 0.88E-08 0.004 9.008 8.240 589.147 577.487 599.60E-08 0.003 9.173 566.76E-07 9.29E-08 0. mol s−1 c' 45.04E-07 0.81E-08 0.087 595.900 0.166 570.186 0.527 593.86E-07 9.123 584.75E-07 1.982 0.169 568.494 613.0431 f' 0 f -0. mol s−1 b' 0.475 613.723 0.289 598.637 591.006 8. s−1 0.71E-07 9.707 0.838 0.956 0.03E-06 1.40E-07 9.09E-07 9.006 8.342 613.520 0.07E-07 0.0345 d 1.007 8.27E-07 9.175 565.285 613.358 595.006 8.8024 j 0 k 0 TAVE.47E-07 9.92E-07 9.23E-08 0.095 613.90E-07 1.001 1.08E-07 0.54E-08 0.07E-08 0.380 613.126 584.437 613.41E-08 0.781 590.156 573.761 598.190 613.501 0.

93E-08 1.766 584.796 584.99E-08 1.013 7.012 7.93E-08 1.817 613.425 613.183 559.96E-08 1.67E-07 7.014 7.70E-07 7.67E-07 7.539 613.55E-08 0.627 0.016 7.69E-07 7.94E-08 1.009 8.718 0.945 586.015 7.409 0.670 0.043 585.561 0.67E-07 7.01E-07 8.303 0.164 555.415 0.93E-08 1.331 587.520 613.174 555.779 613.182 561.016 7.869 585.178 613.553 584.02E-08 1.053 584.79E-08 0.969 613.183 559.514 0.93E-08 1.823 589.213 0.627 613.21E-08 1.358 586.836 584.903 587.41E-07 8.17E-07 8.045 613.463 613.30E-07 8.93E-08 1.42E-08 0.73E-07 8.94E-08 1.97E-08 1.760 613.486 0.183 558.89E-07 8.235 613.013 7.730 0.96E-07 8.646 586.76E-07 8.70E-07 7.180 563.93E-08 1.280 584.734 584.173 555.182 561.423 585.06E-07 8.017 7.017 7.444 613.349 613.010 8.015 7.183 557.182 557.169 555.629 585.243 587.013 7.67E-07 7.95E-08 1.943 588.072 585.79E-07 8.011 8.684 613.18E-08 1.330 613.556 585.253 586.94E-07 8.389 0.49E-07 8.45E-07 8.567 0.014 7.016 7.012 7.25E-08 0.957 587.282 589.523 0.167 555.163 555.646 613.603 584.69E-07 7.683 584.011 7.67E-08 0.20E-07 8.94E-08 .171 555.80E-07 8.644 584.007 613.67E-07 7.177 564.756 0.34E-07 8.273 613.387 613.31E-08 0.703 613.75E-07 8.012 7.181 556.121 613.88E-08 0.205 0.943 0.385 0.482 613.254 613.025 0.722 613.600 584.178 556.836 613.74E-07 8.845 585.080 586.311 613.500 0.182 557.009 8.178 555.014 7.455 0.564 0.52E-08 0.874 613.429 0.376 588.03E-07 8.956 584.406 613.39E-08 0.181 561.183 558.05E-08 1.178 563.0.140 613.064 613.172 555.009 8.49E-08 0.67E-07 7.014 7.018 7.86E-07 8.04E-08 1.415 0.228 585.008 8.406 0.182 560.69E-07 7.042 0.75E-08 0.08E-07 8.746 0.83E-08 0.011 8.97E-08 1.016 7.026 613.665 613.988 613.015 7.931 613.663 584.796 0.010 8.395 0.015 7.000 0.102 613.12E-08 1.161 584.540 0.271 0.93E-08 1.716 587.59E-08 0.68E-07 7.72E-07 8.01E-08 1.010 8.522 588.010 8.709 584.798 613.387 0.37E-07 8.399 0.181 556.159 613.180 556.68E-07 7.609 584.16E-08 1.10E-08 1.70E-08 0.438 0.177 564.013 7.216 613.91E-07 8.309 585.183 560.017 7.292 613.017 7.181 556.183 558.008 8.368 613.573 586.23E-07 8.113 588.011 8.14E-07 8.182 557.741 613.68E-07 7.27E-07 8.018 7.11E-07 8.93E-08 1.181 562.112 0.705 584.82E-07 8.009 8.174 555.71E-07 7.017 7.595 587.015 7.388 0.63E-08 0.23E-08 0.017 7.177 555.36E-08 0.009 8.14E-08 1.867 0.014 7.466 0.93E-08 1.183 558.183 559.912 613.917 584.016 7.878 0.229 0.87E-07 8.008 8.411 584.608 613.98E-07 8.615 0.569 0.777 0.197 613.813 585.175 555.165 555.010 8.855 613.08E-08 1.630 584.07E-08 1.180 562.77E-07 8.083 613.893 613.176 565.350 0.146 0.183 559.998 0.870 584.170 555.68E-07 7.183 557.28E-08 0.618 584.168 555.45E-08 0.013 7.183 560.011 7.179 556.179 556.870 0.948 0.176 555.179 563.132 0.501 613.950 613.84E-07 8.00E-08 1.33E-08 0.012 7.68E-07 7.

900 613.019 7.139 558.87E-07 8.906 0.020 7.803 585.022 8.263 0.018 7.319 586.138 559.00E-07 8.15E-08 1.143 558.155 556.995 585.73E-07 7.17E-08 1.805 613.638 0.159 556.020 7.81E-07 8.01E-08 1.144 558.71E-07 7.691 613.162 556.93E-07 8.021 7.151 557.011 584.021 7.1.97E-07 8.98E-08 1.090 0.75E-07 7.830 0.13E-08 1.760 0.672 613.604 586.363 584.83E-07 8.021 7.146 557.09E-08 1.228 0.020 7.181 585.369 0.020 7.021 7.881 613.99E-08 1.234 584.116 584.558 613.72E-07 7.156 556.767 613.158 556.634 613.018 7.77E-07 8.656 584.987 0.020 7.653 613.706 0.577 613.585 585.615 613.134 559.91E-07 8.148 557.019 7.586 0.504 584.149 557.166 0.031 585.696 0.043 586.80E-07 8.776 585.152 556.97E-08 1.95E-07 8.377 585.19E-08 1.160 556.89E-07 8.95E-08 1.018 7.748 613.07E-08 1.021 7.862 613.475 0.78E-07 8.11E-08 1.154 556.04E-08 1.019 7.824 613.596 613.830 0.85E-07 8.729 613.958 0.96E-08 1.019 7.710 613.786 613.019 7.136 559.141 558.518 585.03E-08 1.843 613.00E-08 1.94E-08 1.820 584.21E-08 .073 0.70E-07 7.270 585.74E-07 7.366 0.06E-08 1.588 0.

105 0.105 0.105 0.106 0.105 .38E-04 0.106 0.105 0.105 0.105 0.1.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.106 0.105 0.105 0.106 xMCH 0.105 0.105 0.105 0.106 0.63E-05 1.105 0.105 0.105 0.105 0.105 0.105 0.

0.103 0.103 0.104 0.103 .104 0.104 0.103 0.105 0.103 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.103 0.104 0.104 0.104 0.104 0.103 0.104 0.104 0.104 0.104 0.105 0.104 0.104 0.103 0.103 0.104 0.104 0.104 0.104 0.103 0.103 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.103 0.103 0.

103 0.103 0.103 0.103 0.103 0.103 0.0.103 0.103 0.103 .103 0.103 0.103 0.103 0.103 0.103 0.103 0.103 0.103 0.103 0.

247 612.038 612.922 576.592 0.266 612.535 0.898 582.851 589.884 597.879 586.05E-07 0.00E-06 1.04E-06 1.854 589.927 574.836 0.000 1.616 0. K X kPRED.03E-07 0.776 0.766 596.451 0.373 0.221 0.991 601.160 0.06E-07 0.06E-06 1.TW Coefficients TCW Coefficients Other a' 339.11E-07 0.09E-07 0.002 9.07E-06 1.002 9.03E-06 1.019 612.877 586.849 0.532 612.969 599. mol s−1 b' 0.02E-07 0.418 612.903 581.095 612.11E-07 0.323 612.114 612.914 578. K 588.10E-07 0.000 1.536 598.926 574.392 0.806 0.64E-07 1.885 585.689 0.197 0.000 1.918 577.000 1.910 579.14E-07 0.470 0.361 612.285 612.0345 d 0.13E-07 0.0166 g' 0 g -4.28E-07 9.13E-07 0.171 612.241 595.116 0.150 0.933 0.7382 c -211.920 576.513 612.69E-07 1.6975 a 317.022 598.320 600.78E-08 .893 583.07E-06 1.264 0.399 612.002 9.908 580.871 587.380 612.002 9.98E-07 1.001 9.08E-07 0.000 1.905 580.04E-06 1.02E-07 0.437 612.58E-07 1. mol s−1 c' 45.475 612.845 595.97E-08 0.001 1.040 598.10E-07 0.001 9.874 586.1341 b -0.921 0.848 590.05E-06 1.06E-06 1.500 598.87E-07 1.152 612.002 9.536 599.002 9.03E-07 0.901 581.03E-06 1.421 0.001 1.494 612.81E-07 1.589 612.963 0. s−1 Rate.2874 e' 11.016 0.034 595.000 1.52E-07 1. cm TW. s−1 0.618 596.9726 Mole Fraction d' 0.001 1.621 XPRED 0.632 594.08E-06 1.891 584.057 612.09E-06 1.431 597.000 1.864 588.07E-07 0.05E-07 0.397 594.858 589.879 600.01E-07 0.34E-07 9.381 0.15E-07 0.00E-07 0.46E-07 9.456 0.429 600.329 597.12E-07 0.209 612.882 585.002 9.924 575.076 612.7628 f' 0 f -0.385 601.15E-07 0.000 1.02E-06 1.001 1.456 612.40E-07 9.001 1.002 9.664 0.017 594.772 593.001 1.209 0.712 0. K TCW.912 579.6571 e 90.570 612.05E-06 1.08E-06 1.75E-07 1.04E-07 0.001 1.342 612.001 9.2687 h 0.678 0.443 595.144 593.867 587.006 z.587 601.92E-07 1.08E-07 0.861 588.174 601.14E-07 0.09E-06 1.196 596.023 599.970 597.2354 MCH (l).916 577.133 612.84E-08 0.0002 i 0 j 0 k 0 TAVE.6035 H2 (g).14E-07 0.001 1. K TAVE.002 9.001 1.190 612.90E-08 0.000 612.501 599.888 584.973 0.896 582.552 0.01E-06 1.752 600.551 612.001 1.06E-07 0.080 0.304 612.001 1.09E-07 0.228 612.01E-06 1.002 9.07E-06 1.

067 0.90E-08 0.257 583.75E-07 8.511 593.520 612.19E-07 8.884 588.004 7.855 612.931 572.74E-08 1.912 612.34E-08 1.80E-07 9.367 0.003 8.368 612.61E-08 0.03E-07 8.902 585.121 612.57E-07 9.090 0.65E-08 0.235 612.976 0.501 612.005 7.045 612.003 7.311 612.20E-08 1.16E-07 9.003 8.78E-08 1.34E-07 7.722 612.741 612.804 586.004 7.53E-08 1.370 0.516 588.956 556.299 0.004 7.007 612.10E-08 1.92E-07 9.13E-07 7.684 612.004 7.005 7.406 612.957 552.37E-07 7.939 569.969 612.07E-07 7.995 0.956 555.003 8.29E-07 8.78E-08 0.24E-08 1.28E-07 7.760 612.064 612.27E-08 0.04E-07 9.956 555.646 612.889 580.0.916 0.049 0.952 560.950 612.009 0.56E-08 1.273 584.35E-07 8.84E-07 8.62E-07 8.903 0.004 7.955 557.004 7.004 7.93E-08 1.874 612.46E-08 0.40E-08 1.40E-07 7.98E-07 8.954 558.004 7.798 612.21E-08 0.74E-07 9.931 612.09E-07 7.957 551.357 580.607 0.004 7.180 0.957 551.002 9.81E-08 1.219 0.98E-07 9.002 8.29E-08 1.901 0.618 586.621 0.67E-07 8.236 592.15E-07 7.614 0.004 7.63E-07 9.954 548.943 567.806 584.02E-08 0.699 0.17E-07 7.953 559.083 612.003 7.800 581.13E-07 8.223 582.988 612.197 612.354 0.003 8.836 612.51E-07 8.935 570.003 8.216 612.710 0.002 9.11E-07 7.817 612.58E-07 7.021 582.220 0.659 591.08E-08 0.10E-07 9.44E-08 1.140 0.003 8.004 7.954 548.957 552.305 591.687 0.103 0.719 0.178 612.937 570.003 8.45E-08 1.790 589.416 0.880 0.957 553.134 581.949 563.85E-08 1.425 612.89E-08 1.653 0.22E-07 9.207 586.73E-08 0.46E-07 8.785 0.037 585.954 559.934 571.955 549.004 7.004 7.004 7.955 548.656 0.431 589.957 552.953 548.751 584.51E-07 7.39E-08 0.703 612.004 7.719 590.06E-08 1.47E-07 7.944 566.954 557.264 0.005 7.08E-07 8.012 590.545 0.71E-07 8.002 8.956 549.151 589.608 612.074 590.71E-08 1.875 592.349 612.003 8.86E-07 9.58E-08 1.616 580.254 612.64E-08 1.178 581.952 560.140 612.003 7.004 7.56E-08 0.33E-08 0.950 562.956 554.026 612.956 554.004 7.003 8.286 0.922 0.24E-07 8.463 612.018 587.444 612.44E-07 7.14E-08 0.951 561.97E-08 1.482 581.005 7.102 612.67E-08 0.731 0.46E-08 1.539 612.52E-08 0.945 565.349 585.71E-08 0.114 580.792 0.378 0.584 0.80E-07 8.580 0.003 8.257 588.20E-07 7.408 587.003 8.955 556.929 573.943 0.950 562.955 549.387 612.286 0.947 564.428 0.002 9.25E-07 7.48E-08 1.323 583.22E-07 7.01E-08 1.292 612.635 587.96E-08 0.40E-07 8.15E-08 1.957 553.946 565.004 7.878 0.004 7.366 590.784 583.003 8.89E-07 8.875 582.665 612.31E-07 7.84E-08 0.002 8.482 612.779 612.003 8.484 0.51E-08 1.241 584.331 0.743 583.442 582.950 591.893 612.956 550.273 612.956 550.956 550.627 612.93E-07 8.482 581.465 585.615 582.932 572.002 9.58E-08 0.54E-07 7.941 568.003 8.69E-07 9.099 0.004 7.159 612.003 8.938 569.942 567.948 563.534 0.845 581.152 0.489 0.330 612.61E-08 1.42E-08 .004 7.594 592.50E-08 1.850 0.67E-08 1.

005 6.312 0.289 580.710 612.596 612.945 546.005 6.577 612.28E-08 1.786 612.419 0.805 612.943 546.949 546.950 546.05E-07 7.942 546.94E-07 7.98E-07 7.40E-08 1.228 579.951 547.748 612.97E-07 7.948 546.035 0.29E-08 1.965 579.005 6.823 0.005 7.37E-08 1.1.824 612.951 547.586 0.473 580.94E-07 7.006 6.946 546.34E-08 1.887 0.005 6.691 612.005 6.005 7.186 579.29E-08 1.767 612.96E-07 7.674 0.940 546.558 0.212 0.005 6.586 579.167 579.403 579.35E-08 1.957 0.487 579.93E-07 7.672 612.99E-07 7.175 579.92E-07 7.615 612.947 546.767 0.881 612.93E-07 7.948 546.92E-07 7.885 580.558 612.609 0.38E-08 1.717 0.02E-07 7.900 612.26E-08 1.562 0.005 7.554 0.005 6.33E-08 1.92E-07 7.273 579.653 612.171 579.943 546.120 580.26E-08 1.26E-08 1.862 612.27E-08 1.195 579.939 546.006 6.005 6.26E-08 1.005 6.26E-08 .698 579.005 6.952 547.729 612.331 579.03E-07 7.952 547.31E-08 1.27E-08 1.92E-07 7.005 6.005 7.824 579.569 0.005 6.30E-08 1.944 546.95E-07 7.638 0.941 546.953 547.634 612.672 580.92E-07 7.843 612.555 0.00E-07 7.26E-08 1.92E-07 7.120 0.005 6.

106 0.105 0.106 xMCH 0.106 0.6.105 0.106 0.106 0.105 0.106 0.105 0.106 0.106 0.105 0.106 0.105 .105 0.106 0.105 0.105 0.106 0.105 0.105 0.105 0.106 0.106 0.106 0.105 0.105 0.53E-04 0.53E-05 5.106 0.105 0.106 0.105 0.105 0.

105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 .105 0.105 0.105 0.105 0.105 0.105 0.105 0.0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.

105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 .0.105 0.

30E-06 1. K 605.70E-07 0.456 601.437 634.156 0.014 621. K TCW.9302 e 260.6408 H2 (g).029 0.171 634.6541 f' 0 f -0.771 613.358 620.468 613.68E-07 0.355 611.411 0.459 599.551 634.323 634.247 634.72E-07 0.475 634.460 598.450 605.53E-06 1.367 618.001 1.55E-06 1.463 595.51E-06 1.002 1. K X kPRED.445 608.460 0.447 607.095 634.71E-07 0.967 0.457 600.152 634.003 1.001 1.40E-06 1.45E-06 1. cm TW.000 1.7725 h 0.001 1.266 634.038 634.462 596.33E-06 1.003 1.41E-06 1.003 1.887 622.37E-06 1.470 587.003 1.461 597.39E-06 1.31E-06 1.549 0.63E-06 1.209 634. K TAVE.000 1.810 615.468 590.469 589.494 634.45E-07 0. s−1 Rate.513 634.2808 g' 0 g -99.56E-06 1.001 1.465 593.229 0.7823 e' 31.000 1.532 634.918 612.60E-07 0.380 634.41E-07 0.69E-07 0.48E-07 0.567 0.647 610.603 618.51E-07 0.247 616.448 606.46E-06 1.008 z.44E-07 0.002 1.002 1.67E-07 0.002 1.60E-06 1.001 1.001 1.58E-06 1. mol s−1 c' -145.285 634.002 1.453 603.50E-06 1.119 618.52E-06 1.985 0.654 621.61E-07 0.114 634.853 0.4019 b -0.442 616.875 0.58E-07 0.418 634.807 0.902 0.458 600.266 0.000 634.045 0.002 1.64E-07 0.32E-06 1.057 634.61E-06 1.519 0.61E-06 1.54E-07 0.001 1.42E-07 0.587 619.001 1.002 1.839 0.223 0.442 609.786 0.440 610.464 595.003 1.311 614.859 619.38E-07 0.451 0.001 1.388 0.064 612.278 621.42E-06 1.0762 j 0 k 0 TAVE.342 634.001 620.50E-07 0.63E-07 0.693 0.003 1.002 1.36E-06 1.57E-06 1.304 634.001 1.000 1.210 611.47E-06 1. mol s−1 b' -0.042 617.133 634.49E-06 1.500 610.49E-07 0.225 0. s−1 0.002 1.002 1.56E-07 0.687 620.37E-07 .399 634.467 591.57E-07 0.2903 a 337.39E-07 0.589 634.543 0.190 634.43E-07 0.149 614.019 634.630 616.031 XPRED 0.62E-07 0.621 613.301 619.466 592.456 634.1353 c -246.412 0.470 588.452 603.8868 Mole Fraction d' 0.451 604.3289 MCH (l).228 634.52E-07 0.55E-07 0.444 608.983 615.642 0.119 0.164 0.468 590.861 0.0885 d 0.443 609.479 622.65E-07 0.48E-06 1.464 594.636 0.35E-06 1.44E-06 1.827 617.66E-07 0.59E-06 1.570 634.455 602.361 634.471 586.449 606.559 0.TW Coefficients TCW Coefficients Other a' 361.250 0.076 634.002 1.62E-06 1.000 1.0748 i 26.38E-06 1.46E-07 0.

01E-06 1.04E-07 1.404 0.439 556.005 1.11E-07 1.77E-07 1.005 1.02E-07 1.223 603.16E-06 1.456 559.653 0.006 9.006 1.453 558.892 599.907 0.970 605.537 606.004 1.004 1.523 596.02E-06 1.447 557.26E-07 0.73E-07 1.801 602.262 608.475 577.040 0.09E-07 1.473 582.474 580.15E-06 1.838 0.25E-06 1.007 9.003 1.01E-07 .779 634.27E-07 0.03E-07 1.450 0.445 556.25E-07 0.24E-06 1.15E-07 1.714 0.18E-07 0.004 1.006 1.950 607.254 634.04E-06 1.11E-06 1.966 0.475 576.22E-06 1.005 1.20E-06 1.563 0.05E-07 1.292 634.741 634.003 1.03E-06 1.006 1.451 599.24E-07 0.33E-07 0.132 0.912 634.178 634.631 596.983 595.454 558.005 1.006 9.950 0.475 579.501 634.464 561.466 562.462 560.01E-07 1.463 561.138 606.539 634.159 634.006 9.349 0.006 9.29E-06 1.893 634.042 0.197 634.045 634.283 0.09E-06 1.273 634.14E-07 1.473 568.424 0.469 564.35E-07 0.003 1.844 597.651 0.005 1.212 0.684 634.004 1.474 569.005 1.01E-07 1.451 557.948 597.27E-06 1.748 0.004 1.02E-07 1.004 1.11E-06 1.690 604.235 634.948 609.005 1.06E-06 1.474 570.01E-06 1.349 634.951 603.990 0.07E-06 1.444 634.749 605.006 9.80E-07 1.769 607.425 634.84E-07 1.831 600.004 1.760 634.301 598.397 0.215 600.005 1.12E-06 1.665 634.005 1.347 598.13E-06 1.29E-07 0.005 1.003 1.03E-07 1.26E-06 1.467 563.440 604.064 634.107 602.140 634.472 566.200 604.06E-07 1.475 575.419 0.288 0.343 0.23E-07 0.990 0.475 575.713 0.426 601.472 584.00E-06 1.003 1.470 565.005 1.341 596.006 1.388 597.005 1.475 579.682 595.005 1.426 608.475 574.855 634.28E-07 0.474 581.646 634.10E-07 1.07E-06 1.12E-07 1.026 634.806 0.475 570.23E-06 1.21E-07 0.475 572.083 0.02E-07 1.004 1.91E-07 1.96E-07 1.180 0.471 566.458 0.006 9.09E-07 1.21E-07 0.36E-07 0.64E-07 1.291 0.127 595.638 0.867 0.13E-07 1.16E-07 1.223 0.458 559.17E-06 1.67E-07 1.02E-06 1.70E-07 1.441 556.31E-07 0.473 567.950 634.473 584.134 0.800 598.006 1.004 1.612 0.07E-07 1.475 573.758 601.299 595.475 578.14E-06 1.16E-06 1.30E-07 0.34E-07 0.12E-07 1.474 568.622 0.006 9.722 634.969 634.006 1.103 609.406 634.083 634.05E-06 1.836 634.798 634.10E-06 1.121 634.19E-06 1.08E-06 1.627 634.216 634.87E-07 1.641 0.459 559.465 562.594 608.006 0.006 9.288 0.10E-07 1.506 602.460 0.006 9.03E-07 1.215 0.62E-07 1.397 595.0.471 565.203 0.004 1.468 563.15E-07 1.368 634.00E-06 1.785 0.004 1.988 634.08E-07 1.19E-07 0.07E-07 1.703 634.007 9.587 0.004 1.978 596.20E-07 0.387 634.102 601.09E-06 1.383 0.463 634.05E-07 1.314 597.113 596.007 634.616 0.311 634.334 606.889 0.874 634.025 599.475 571.17E-07 0.102 634.613 600.796 610.04E-07 1.719 596.05E-06 1.460 600.03E-06 1.473 583.472 585.608 634.28E-06 1.18E-06 1.004 1.330 634.443 556.520 634.710 0.482 634.005 1.931 634.005 1.873 0.06E-07 1.22E-07 0.460 560.21E-06 1.816 598.475 572.817 634.034 0.449 557.

178 0.719 0.49E-07 9.007 9.292 0.008 9.007 9.126 0.39E-07 9.472 0.408 554.615 634.007 9.391 553.83E-08 1.007 9.007 9.430 555.425 554.767 634.204 594.90E-08 1.843 634.93E-08 1.57E-07 1.857 594.83E-08 1.85E-08 1.817 0.174 594.91E-08 1.1.435 555.007 9.405 0.007 9.394 594.39E-07 9.412 594.012 594.209 0.95E-08 1.41E-07 9.123 0.954 594.51E-07 9.47E-07 9.46E-07 9.388 553.007 9.40E-07 9.007 9.008 9.525 594.672 594.86E-08 1.008 9.909 594.405 554.653 634.630 0.276 594.007 9.45E-07 9.086 594.82E-08 .00E-07 1.007 9.417 554.87E-08 1.82E-08 1.805 634.82E-08 1.422 554.007 9.862 634.247 0.577 634.136 0.345 0.878 594.153 0.82E-08 1.008 9.55E-07 9.596 634.868 594.007 9.635 595.008 9.922 0.385 553.691 634.035 0.126 0.786 634.414 554.881 634.432 555.155 0.39E-07 9.427 555.395 553.39E-07 9.43E-07 9.84E-08 1.40E-07 9.824 634.873 595.834 594.97E-08 1.401 553.419 554.53E-07 9.99E-08 1.41E-07 9.437 555.398 553.411 554.007 9.42E-07 9.729 634.900 634.672 634.634 634.748 634.88E-08 1.861 594.013 594.710 634.59E-07 1.00E-07 1.547 0.558 634.

105 0.105 0.105 0.53E-04 0.106 0.105 0.105 0.105 0.105 0.105 0.106 0.6.105 .106 0.106 0.105 0.105 0.106 xMCH 0.105 0.106 0.106 0.105 0.105 0.105 0.106 0.106 0.106 0.105 0.105 0.105 0.105 0.105 0.106 0.53E-05 5.105 0.105 0.

105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 .105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.

105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.0.105 0.105 0.105 0.105 0.105 .105 0.105 0.

46E-06 1.005 1.21E-06 1.187 0.TW Coefficients TCW Coefficients Other a' 361.50E-07 0.411 605. cm TW.2341 f' 0 f -0.29E-07 0.450 595.827 615.38E-07 0.000 1.962 609.23E-06 1. K X kPRED.464 584.17E-06 1.209 634.59E-07 0.50E-06 1.475 634. K TAVE.449 596.470 577.819 0.32E-07 0.733 0.29E-06 1.004 1.28E-07 0.839 0.455 592.616 616.302 608.005 1.47E-06 1.23E-07 .8798 j 0 k 0 TAVE.569 607.471 575.171 634.255 0.37E-07 0.264 0.003 1.440 602.18E-06 1.445 599.000 1.20E-06 1.228 634.36E-07 0.41E-07 0.444 600.304 634.49E-07 0.005 1.494 634.923 615.076 634.39E-06 1.686 XPRED 0.005 1.360 0.570 634.431 607.2903 a 329.972 0.184 613.37E-06 1.000 1.461 586.7763 MCH (l).27E-06 1.266 0.181 608.447 598.190 634.683 0.418 634.221 605.4288 g' 0 g -156.43E-07 0.983 0.005 1.343 h 0.1353 c -222.35E-07 0.52E-06 1.0885 d 1.014 614.384 0.469 578.133 634.459 588.465 582.24E-07 0.874 606.717 607.437 634.28E-06 1.380 634.42E-06 1.35E-06 1.002 1.372 617.068 609.000 634.342 634.004 1.468 578.40E-07 0.508 611.457 590.452 594.003 1.152 634.441 0.038 634.61E-07 0.30E-06 1. s−1 0.45E-07 0.456 634.458 589.589 634.114 634.532 634.36E-06 1.51E-07 0.712 0.33E-06 1.34E-06 1.32E-06 1.525 0.001 1.004 1.5409 H2 (g).087 0.042 0.518 0.48E-06 1.001 1.2354 Mole Fraction d' 0.54E-07 0.845 0.003 1. K 601.513 634.462 585.448 597.464 583.361 634.26E-07 0.004 1.276 0.53E-07 0.014 z.004 1.40E-06 1.399 634.247 634.005 1.22E-06 1.41E-06 1.58E-07 0.638 0.001 1. K TCW.19E-06 1.002 1.926 618.44E-06 1.266 634.460 587.002 1.25E-07 0.002 1.33E-07 0.442 602.862 610.531 0.27E-07 0.901 0.823 0.467 580.001 1.092 0.456 591.003 1.551 634.614 0.677 611.55E-07 0.001 1.949 0.725 616.087 618.463 584.25E-06 1.468 579. s−1 Rate.003 1.265 613.408 0.323 634.057 634. mol s−1 c' -145.4019 b -0.453 593.499 616.100 614.095 634.26E-06 1.24E-06 1.004 1.466 581.235 617. mol s−1 b' -0.0325 e' 31.470 576.1272 i 45.443 601.069 0.426 612.671 0.45E-06 1.042 606.9302 e 346.767 610.441 0.005 1.002 1.162 0.591 611.31E-07 0.002 1.46E-07 0.42E-07 0.47E-07 0.51E-06 1.30E-07 0.346 612.019 634.613 605.57E-07 0.285 634.451 595.

009 9.011 9.15E-07 0.91E-08 1.474 571.008 1.847 0.456 555.93E-07 1.010 9.11E-06 1.100 0.009 1.444 634.22E-07 0.006 1.454 554.011 9.007 634.012 9.02E-06 1.45E-07 9.93E-08 1.988 634.008 1.141 0.855 0.085 596.468 597.04E-06 1.520 634.349 634.262 0.544 603.557 0.608 634.16E-07 0.798 634.81E-08 1.01E-06 1.470 558.98E-08 1.008 1.465 594.731 596.05E-06 1.10E-07 0.722 634.10E-07 0.655 0.216 634.531 597.48E-07 9.65E-07 1.931 634.011 9.71E-07 1.07E-06 1.08E-06 1.42E-07 9.056 594.007 1.83E-08 1.124 594.15E-06 1.328 0.06E-06 1.007 1.53E-07 9.09E-07 0.779 634.41E-07 9.760 634.02E-07 1.473 571.07E-07 1.145 0.74E-07 1.81E-07 1.379 0.969 634.473 573.475 564.010 9.475 562.428 594.449 554.00E-07 1.458 555.03E-06 1.00E-06 1.009 1.00E-07 1.13E-06 1.292 634.685 601.731 0.44E-07 9.235 634.89E-08 1.817 634.46E-07 9.311 634.539 634.05E-06 1.685 602.009 9.274 0.406 0.406 634.839 596.987 598.009 9.330 634.449 0.561 594.07E-06 1.912 634.071 595.937 595.311 594.16E-06 1.12E-07 0.001 594.502 0.463 556.827 604.011 9.999 0.42E-07 9.02E-07 1.008 1.475 565.453 554.063 0.04E-06 1.454 596.199 0.217 0.12E-07 0.011 9.055 594.17E-07 0.387 634.992 597.506 0.55E-07 9.08E-07 0.009 1.073 599.474 560.764 595.85E-08 1.277 0.06E-07 1.01E-07 1.78E-07 1.473 560.733 0.443 554.473 560.451 554.474 561.472 559.05E-07 1.780 0.462 555.693 595.89E-07 1.09E-06 1.464 556.20E-07 0.439 554.875 594.80E-08 1.009 1.465 598.475 569.468 557.007 1.083 634.08E-07 0.330 0.379 602.468 0.474 570.501 634.197 634.475 564.10E-06 1.006 1.665 634.874 634.06E-07 1.95E-08 1.008 1.279 0.01E-06 1.140 634.007 1.523 598.01E-07 1.219 599.472 574.814 600.627 634.045 634.13E-07 0.04E-07 1.007 1.010 9.18E-07 0.614 0.43E-07 9.427 0.008 1.006 1.469 558.459 555.82E-08 1.439 0.121 634.739 0.472 574.006 1.60E-07 1.338 601.466 557.080 0.010 9.011 9.475 565.004 601.508 0.471 559.010 9.463 634.78E-08 .007 1.04E-07 1.159 634.220 0.13E-06 1.0.474 561.471 558.007 1.248 0.639 599.425 634.68E-07 1.462 0.962 0.15E-07 0.102 634.649 0.026 634.006 1.441 554.011 9.959 598.475 563.02E-07 1.809 603.03E-06 1.010 9.011 9.467 557.475 562.047 600.012 9.761 0.460 555.273 634.012 9.01E-07 1.21E-07 0.012 9.930 0.085 597.178 634.646 634.58E-07 9.210 594.012 9.475 568.465 556.475 567.14E-07 0.855 634.482 634.684 634.703 634.239 596.741 634.470 0.11E-07 0.665 0.02E-06 1.284 0.03E-07 1.053 604.475 566.10E-06 1.423 600.010 9.03E-07 1.472 595.582 0.950 634.393 595.010 9.893 634.006 1.768 0.368 634.473 572.445 554.447 554.077 0.51E-07 9.254 634.882 0.252 594.475 567.087 602.14E-06 1.07E-07 0.05E-07 1.008 1.292 603.654 597.79E-08 1.064 634.197 595.87E-08 1.475 569.080 0.19E-07 0.006 1.756 0.710 594.855 0.836 634.12E-06 1.63E-07 1.50E-07 9.009 9.971 0.85E-07 1.97E-07 1.

653 634.596 634.77E-08 1.105 0.427 553.014 9.419 554.623 0.634 634.401 554.748 634.411 554.892 0.40E-07 9.995 0.013 9.87E-08 1.49E-07 9.210 594.197 594.54E-07 9.932 594.014 9.013 9.057 594.239 0.214 0.824 634.012 9.78E-08 1.845 594.013 9.50E-07 9.41E-07 9.796 0.862 634.52E-07 9.548 594.603 594.786 634.435 553.881 634.361 0.47E-07 9.729 634.77E-08 1.391 555.182 0.941 594.388 555.77E-08 1.615 634.013 9.825 595.710 634.014 9.398 555.013 9.013 9.46E-07 9.014 9.86E-08 1.45E-07 9.012 9.432 553.77E-08 1.84E-08 1.1.422 554.940 594.706 0.82E-08 1.185 0.014 594.58E-07 9.547 0.41E-07 9.79E-08 1.77E-08 1.40E-07 9.414 554.273 0.478 0.40E-07 9.83E-08 1.91E-08 1.690 594.003 594.437 553.558 634.577 634.672 634.78E-08 1.93E-08 .196 0.187 0.430 553.200 0.012 9.405 554.126 594.408 554.395 555.44E-07 9.89E-08 1.40E-07 9.014 9.80E-08 1.385 555.41E-07 9.964 594.805 634.767 634.013 9.308 594.78E-08 1.417 554.56E-07 9.691 634.42E-07 9.43E-07 9.014 9.313 0.013 9.900 634.425 554.416 0.014 9.394 594.80E-08 1.421 594.962 594.843 634.014 9.

105 0.105 .105 0.105 0.105 0.106 0.27E-05 2.106 0.106 0.105 0.105 0.105 0.105 0.105 0.105 0.106 0.105 0.106 xMCH 0.105 0.77E-04 0.105 0.105 0.105 0.105 0.105 0.3.105 0.105 0.105 0.105 0.106 0.105 0.105 0.105 0.105 0.106 0.

104 0.105 0.104 0.105 0.104 0.104 0.104 0.105 0.104 0.104 0.104 0.105 0.104 0.104 0.105 0.104 0.105 0.104 0.104 0.104 0.104 0.105 0.105 0.105 0.0.105 0.105 0.105 0.104 0.104 0.104 .104 0.104 0.104 0.105 0.104 0.104 0.104 0.104 0.104 0.104 0.105 0.104 0.105 0.104 0.105 0.104 0.105 0.105 0.105 0.104 0.

104 0.104 0.104 0.104 0.104 0.104 .104 0.104 0.104 0.0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.

TW Coefficients TCW Coefficients Other a' 361.002 1.216 MCH (l).749 0.2903 a 332.007 1.001 1.452 596.1353 c -847.0885 d 3.366 619.285 634.000 1.008 1.28E-07 0.003 1.46E-06 1.356 611.444 603.45E-07 0.52E-07 0.006 1.42E-07 0.457 592.003 1.095 634.56E-06 1.29E-07 0. K TCW.45E-06 1.40E-07 0.057 634.36E-07 0.0008 k 0 TAVE.190 634.494 634.011 1.020 0.009 1.32E-06 1.443 603.48E-07 0.46E-07 0.4019 b -2.916 0.465 583.39E-07 0.209 634.589 634.53E-06 1.58E-07 0.249 607.677 616.466 582.49E-06 1.551 634.61E-07 0.34E-07 0.019 634.010 1.493 0.42E-06 1.450 598.005 1.819 0.27E-06 1.463 586.470 577.000 634.358 0.004 1.008 1.004 1.37E-06 1.19E-06 1.551 0.724 616. mol s−1 b' -0.43E-06 1.922 j -0.35E-06 1.418 634.453 595.440 605.152 634.088 0.055 618.002 1.011 1.304 634.30E-07 0.092 0.33E-07 0.510 612.010 1.467 581.342 634.952 605.008 1.471 576.518 606.532 634. K TAVE.004 1.50E-06 1.23E-07 0.038 634.513 634. s−1 Rate.582 613.622 619.57E-07 0.18E-06 1.915 0.47E-06 1.18E-06 1.296 0.437 634.339 0.62E-07 0.2636 e' 31.38E-06 1.353 0.872 0.27E-07 0.600 0.459 590.464 584.451 597.102 0.55E-06 1.39E-06 1.4436 i 158.55E-07 0.814 0.164 609.005 1.468 579.380 634. mol s−1 c' -145.399 634.26E-06 1.469 578.750 615.59E-07 0.445 602.25E-06 1.0322 f' 0 f -1.009 1.448 600.455 594.575 XPRED 0.79 Mole Fraction d' 0.30E-06 1.433 611.31E-06 1.711 0.172 607.748 615.027 0.696 614.001 1.570 634.475 634.54E-07 0.903 0.447 601.235 605.266 634.532 0.076 634.228 634.114 634.282 610.52E-06 1.43E-07 0.383 617.25E-07 0.563 0.714 606.468 580.009 1.002 1.128 608.790 0.115 608.460 589.171 634.645 613.076 0.593 0.49E-07 0.232 618.462 587.247 634.323 634.507 617.408 0. K 605.24E-07 0.461 588.37E-07 0.006 1.51E-07 0.147 0.21E-06 1.456 593.449 599.851 619.456 634.133 634. K X kPRED.51E-06 1.339 0.031 z.470 576.9302 e 1143.007 1. cm TW.41E-06 1.34E-06 1.361 634.31E-07 0.732 614.464 585.22E-06 1. s−1 0.484 0.458 591.297 0.128 609.436 H2 (g).0976 h 0.6673 g' 0 g -608.363 606.20E-06 1.946 0.605 617.28E-06 1.64E-07 0.63E-07 0.22E-07 .006 1.442 604.477 0.005 1.009 1.23E-06 1.010 1.000 1.216 610.

501 634.760 634.836 634.13E-06 1.17E-06 1.178 634.011 1.085 0.851 601.012 1.907 0.184 0.753 601.254 634.464 567.996 603.289 602.100 0.018 1.08E-06 1.14E-07 0.304 0.721 601.017 1.11E-07 1.09E-06 1.339 601.470 567.12E-07 1.456 567.14E-07 0.473 574.368 634.323 601.798 634.11E-07 1.09E-06 1.018 1.608 634.015 1.007 634.353 0.451 568.932 604.13E-07 1.914 601.083 634.015 1.095 0.474 568.104 0.472 574.13E-06 1.14E-07 0.11E-07 1.471 568.11E-07 1.18E-07 0.539 634.425 634.741 634.975 602.016 1.779 601.11E-07 1.447 568.09E-06 1.08E-06 1.453 601.385 0.454 567.091 0.467 567.699 601.11E-07 1.482 634.458 567.025 1.453 567.406 0.665 634.18E-07 0.121 634.330 634.827 603.018 1.460 567.273 634.216 634.475 571.950 634.969 634.08E-06 1.11E-07 1.234 601.110 0.015 1.170 602.09E-06 1.155 0.013 1.020 1.11E-06 1.12E-07 1.016 1.022 1.08E-06 1.221 0.474 568.017 1.19E-07 0.449 568.023 1.0.017 1.11E-07 1.09E-06 1.083 0.186 0.271 0.13E-07 1.11E-06 1.14E-07 0.292 634.349 634.260 0.882 0.11E-06 1.025 1.311 634.471 568.699 0.686 602.793 601.475 569.820 0.475 569.706 601.020 1.13E-07 0.474 572.16E-07 0.014 1.12E-06 1.11E-07 1.08E-06 1.11E-07 1.17E-07 0.855 634.052 0.003 601.474 572.703 634.022 1.09E-06 1.463 567.462 567.473 568.387 634.09E-06 1.465 567.463 634.014 1.528 0.406 634.340 601.475 571.473 568.08E-06 1.562 605.151 0.842 601.463 0.739 0.474 568.475 571.208 0.197 634.725 602.024 1.475 570.15E-06 1.10E-06 1.09E-06 1.779 634.581 0.024 1.21E-07 0.12E-07 .023 1.295 603.064 634.15E-07 0.08E-06 1.09E-06 1.140 634.130 0.021 1.445 568.800 604.409 0.14E-06 1.325 0.125 0.11E-07 1.628 603.792 601.16E-06 1.441 568.014 1.11E-07 1.137 0.435 0.235 0.461 601.09E-06 1.14E-06 1.12E-06 1.725 0.525 0.846 601.08E-06 1.09E-06 1.10E-06 1.11E-07 1.16E-07 0.940 602.11E-07 1.702 0.012 1.08E-06 1.19E-07 0.323 0.475 570.466 567.022 1.013 1.016 1.475 570.10E-06 1.469 567.020 1.520 634.09E-06 1.468 567.443 568.709 601.11E-07 1.001 0.013 1.159 634.012 1.473 573.592 0.025 1.884 0.418 602.08E-06 1.11E-07 1.22E-07 0.102 634.996 601.12E-07 1.200 601.12E-07 1.11E-07 1.17E-07 0.346 604.472 568.166 601.10E-06 1.017 1.09E-06 1.724 601.12E-07 1.091 601.893 634.013 1.475 569.11E-07 1.988 634.20E-07 0.15E-07 0.024 1.12E-06 1.137 601.08E-06 1.475 569.750 601.577 601.020 1.395 603.651 0.08E-06 1.019 1.447 0.235 634.684 634.10E-06 1.023 1.022 1.019 1.026 634.817 634.13E-07 0.475 569.017 0.13E-07 1.08E-06 1.459 567.475 570.019 1.931 634.08E-06 1.646 634.081 0.024 1.12E-07 1.015 1.15E-06 1.15E-07 0.722 634.526 602.472 575.444 634.874 634.049 601.12E-07 1.473 573.439 568.902 601.08E-06 1.610 0.612 601.11E-06 1.971 601.912 634.12E-07 1.453 0.704 601.021 1.08E-06 1.019 1.663 0.045 634.475 569.627 634.224 0.021 1.959 601.08E-06 1.

10E-06 1.697 604.14E-07 1.538 602.363 601.710 634.869 603.621 602.818 0.748 634.076 602.385 574.212 603.914 602.786 634.310 0.587 602.028 1.432 569.030 1.425 570.219 602.15E-06 1.824 634.029 1.026 1.027 1.13E-07 1.11E-06 1.026 1.411 571.417 571.154 601.027 1.437 569.427 570.430 569.14E-06 1.767 634.445 0.401 572.16E-07 1.899 0.398 573.12E-06 1.15E-06 1.13E-07 1.13E-07 1.976 0.900 634.918 604.342 602.029 1.881 634.252 0.805 634.843 634.414 571.18E-07 .140 0.862 634.566 603.15E-07 1.11E-06 1.13E-07 1.030 1.12E-07 1.10E-06 1.522 0.932 603.10E-06 1.14E-07 1.16E-06 1.16E-07 1.028 1.383 0.615 634.027 1.010 0.15E-07 1.667 0.502 604.825 602.12E-07 1.12E-06 1.025 1.691 634.422 570.029 1.796 0.596 634.729 634.435 569.1.15E-07 1.309 603.14E-07 1.667 0.030 1.672 634.17E-07 1.558 634.405 572.031 1.395 573.16E-07 1.391 574.408 572.11E-06 1.12E-07 1.127 0.14E-06 1.653 634.029 1.243 0.651 0.419 570.028 1.10E-06 1.854 0.634 634.12E-06 1.485 0.16E-06 1.13E-06 1.027 1.17E-07 1.577 634.388 574.13E-06 1.026 1.094 604.046 0.13E-06 1.

105 0.105 0.105 0.104 .104 0.104 0.105 0.105 0.63E-05 1.104 0.104 0.105 0.104 0.106 xMCH 0.105 0.105 0.105 0.104 0.106 0.105 0.105 0.105 0.38E-04 0.105 0.104 0.105 0.106 0.105 0.105 0.1.105 0.105 0.105 0.105 0.106 0.104 0.

104 0.104 0.104 0.103 0.104 0.103 0.103 0.103 0.102 0.103 0.103 0.103 0.103 0.103 0.104 0.103 0.104 0.104 0.102 0.103 0.103 0.103 0.102 .103 0.103 0.102 0.0.103 0.104 0.103 0.103 0.104 0.103 0.104 0.103 0.104 0.104 0.104 0.103 0.104 0.103 0.104 0.102 0.103 0.102 0.103 0.103 0.102 0.102 0.102 0.103 0.

102 0.102 0.102 0.102 0.102 0.0.102 0.102 0.102 0.101 0.102 0.102 0.102 0.102 0.102 0.102 0.102 0.102 0.101 .102 0.

20E-07 0.867 0.967 593.21E-07 0.73E-06 1.350 0.228 654.568 0.968 597.732 0.169 0.170 636. K TAVE.0687 d 1.87E-06 1.74E-06 1.002 1.66E-06 1.090 0.14E-06 2.99E-07 0.10E-06 2.345 633.26E-07 0.393 0.92E-07 0.570 654.92E-06 2.057 654.002 1.484 0.970 609. K X kPRED.000 2.002 1.966 617. cm TW.028 629. mol s−1 b' 0.027 626.99E-06 2.TW Coefficients TCW Coefficients Other a' 381.764 0.97E-07 0.761 623.038 654.114 654.009 0.963 620.18E-07 0.873 624.998 0.90E-07 0.968 595.371 636.958 636.970 604.13E-06 2.735 637.11E-07 0.78E-06 1.15E-07 0.984 0.057 628.28E-07 0.81E-06 1.562 635.06E-07 0.437 654.970 604.939 0. K 616.657 0.969 601.969 600.5467 H2 (g).517 0.9629 c -577.89E-06 1.903 630.964 619.304 654.920 0.004 1.699 623.02E-06 2.001 2.4837 g' 0 g -204.01E-07 0.000 2.970 608.004 1.000 2.266 654.76E-06 1.001 2.965 618.499 0.969 611.956 630.968 614.89E-07 0.79E-06 1.047 629.970 603.001 2.003 1.24E-07 0.970 610.966 592.966 618.171 654.211 634.15E-06 2.056 628.3455 b -1.967 616.936 0.218 0.152 654.76E-07 0.10E-07 0.404 0.712 f' 0 f -0.71E-06 1.002 1.209 654.11E-06 2.909 634.354 0.445 0.967 594.970 606.78E-07 0.87E-07 0.002 1.532 654.966 0.03E-07 0.968 614.076 654.003 1.965 591.513 654. s−1 0.456 654.508 0.97E-06 2. mol s−1 c' 131.03E-06 2.001 2.342 654.004 1.763 631.69E-06 1.839 631.9911 j 0 k 0 TAVE.969 612.133 654.970 605.003 1.002 1.3515 MCH (l).773 0.81E-07 0.095 654.323 654.001 2.85E-07 0.494 654.418 654.809 XPRED 0.86E-06 1.819 624.05E-06 2.046 627.96E-06 2.970 602.399 654.8133 a 347.969 599.999 626.94E-06 2.80E-07 0.16E-07 0.8563 h 0.004 1.010 z.922 625.1593 e 528.969 613.463 0.247 654.019 654.013 0.467 633.190 654.589 654.002 1.332 0.964 625.68E-06 1.83E-06 1.003 1.676 632.74E-07 .1227 i 47.002 1.502 637.23E-07 0.961 0.003 1.551 654.96E-07 0.001 2.003 1.3178 Mole Fraction d' 0.08E-06 2.323 0.285 654.07E-06 2.577 632.003 1.13E-07 0.968 596.94E-07 0.475 654. s−1 Rate. K TCW.3852 e' 26.04E-07 0.08E-07 0.91E-06 2.003 1.00E-06 2.000 654.83E-07 0.84E-06 1.741 635.380 654.997 629.001 2.003 1.361 654.513 0.066 634.970 607.967 615.000 2.863 0.

957 580.094 0.005 1.007 1.303 0.55E-07 0.33E-06 1.27E-06 1.739 0.004 1.939 566.171 610.64E-07 0.006 1.751 605.941 0.26E-07 1.672 0.58E-06 1.36E-06 1.53E-07 0.950 573.760 654.945 569.106 0.41E-06 1.005 1.551 0.007 1.29E-07 1.27E-07 1.912 654.209 0.943 568.942 567.264 606.004 1.893 654.006 1.952 575.203 0.006 1.959 582.267 0.923 559.482 654.45E-07 0.008 1.546 609.47E-06 1.19E-06 1.918 558.56E-06 1.599 0.808 612.216 654.178 654.874 0.575 0.37E-06 1.008 1.930 561.36E-07 1.058 0.49E-07 0.64E-06 1.007 1.938 565.617 0.988 654.102 654.953 576.406 654.425 654.145 617.20E-06 1.34E-06 1.18E-06 1.19E-06 1.42E-06 1.22E-06 1.950 654.293 606.23E-06 1.291 605.29E-07 1.26E-06 1.911 556.906 556.836 654.539 654.273 619.627 654.962 586.877 0.206 615.008 1.34E-07 1.625 611.595 606.779 654.940 566.273 654.005 1.045 654.007 1.159 654.18E-06 1.970 0.874 654.39E-07 1.331 614.580 0.931 654.684 654.143 0.301 608.103 0.855 654.63E-07 0.520 654.0.811 609.59E-06 1.30E-06 1.799 607.083 654.45E-06 1.007 1.35E-07 1.21E-06 1.479 610.24E-07 1.907 556.006 1.254 654.008 1.59E-07 0.163 618.320 607.026 654.005 1.962 0.654 0.965 590.946 570.956 579.919 606.140 654.284 0.292 654.63E-06 1.090 605.641 0.636 622.005 1.501 654.004 1.005 1.35E-07 1.921 559.44E-07 0.255 0.35E-06 1.387 654.064 654.68E-07 0.928 561.006 1.463 654.24E-07 1.961 585.387 611.954 577.235 654.817 654.53E-06 1.006 1.121 654.913 0.25E-07 1.29E-06 1.23E-07 .462 0.325 620.40E-07 1.69E-07 0.61E-06 1.917 557.18E-06 1.551 0.007 1.741 654.24E-06 1.61E-07 0.49E-06 1.115 0.555 0.46E-06 1.963 587.40E-06 1.418 0.979 612.421 614.21E-06 1.005 1.863 607.944 569.948 571.377 608.33E-07 1.185 0.42E-07 1.167 609.007 1.703 654.008 1.32E-07 1.775 0.008 1.140 617.800 0.019 606.191 618.955 578.37E-07 1.24E-06 1.931 562.932 562.924 559.008 1.710 0.048 0.30E-07 1.937 564.006 1.31E-06 1.005 1.48E-07 0.28E-07 1.949 572.623 0.831 0.006 1.008 1.56E-07 0.52E-07 0.43E-07 1.008 1.28E-06 1.311 654.914 557.25E-06 1.551 0.004 1.382 620.24E-07 1.915 557.172 612.007 654.442 621.197 654.658 613.22E-06 1.52E-06 1.21E-06 1.31E-07 1.722 654.31E-07 1.73E-07 0.887 610.260 615.006 1.25E-07 1.20E-06 1.798 654.007 1.147 616.007 1.26E-06 1.935 564.062 0.498 0.228 619.964 589.909 556.444 654.394 0.29E-06 1.827 608.005 1.012 605.950 608.006 1.55E-06 1.176 0.27E-07 1.43E-06 1.005 1.927 560.060 0.571 622.608 654.511 605.506 621.349 654.240 0.006 1.925 560.19E-06 1.28E-07 1.960 584.963 588.934 563.58E-07 0.004 1.665 0.960 583.863 0.969 654.38E-06 1.591 0.735 0.008 1.530 613.007 1.006 1.38E-07 1.66E-07 0.912 557.50E-07 0.646 654.007 1.330 654.008 1.430 607.665 654.71E-07 0.958 581.920 558.26E-07 1.368 654.378 0.630 606.169 616.24E-07 1.007 1.50E-06 1.32E-06 1.46E-07 0.951 574.

22E-07 1.22E-07 1.23E-07 1.18E-06 1.22E-07 1.242 605.009 1.507 605.252 0.22E-07 1.876 555.012 0.010 1.909 605.112 604.18E-06 1.17E-06 1.010 1.284 605.883 555.184 605.008 1.874 555.009 1.405 605.890 555.249 0.407 0.577 654.17E-06 1.009 1.881 654.141 0.316 605.009 1.17E-06 1.009 1.996 0.22E-07 1.135 0.23E-07 1.1.904 555.878 555.17E-06 1.22E-07 1.710 654.22E-07 1.653 654.604 605.691 654.17E-06 1.672 654.22E-07 1.479 605.17E-06 1.009 1.033 0.881 555.22E-07 .17E-06 1.123 605.054 0.891 555.008 1.213 605.009 1.010 1.729 654.786 654.893 555.17E-06 1.22E-07 1.634 654.17E-06 1.22E-07 1.22E-07 1.886 555.558 654.007 0.901 555.22E-07 1.099 604.009 1.009 1.009 1.17E-06 1.899 555.862 654.896 555.010 1.17E-06 1.325 0.140 605.903 555.17E-06 1.009 1.17E-06 1.596 654.895 555.17E-06 1.189 0.888 555.23E-07 1.22E-07 1.372 605.026 0.009 1.615 654.994 0.17E-06 1.17E-06 1.999 0.22E-07 1.22E-07 1.103 604.805 654.17E-06 1.098 0.009 1.885 555.748 654.062 0.159 605.192 0.747 605.900 654.880 555.624 605.898 555.090 0.843 654.767 654.824 654.

105 0.105 0.105 0.106 0.105 0.106 0.106 0.105 0.105 0.105 0.105 0.105 0.106 0.105 0.105 0.105 0.105 0.105 0.106 0.105 0.105 0.105 0.105 0.106 0.105 0.105 .106 0.6.105 0.105 0.105 0.106 xMCH 0.106 0.53E-05 5.53E-04 0.105 0.

105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.104 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.104 .105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.

104 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.0.104 0.104 0.104 .104 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.

106 0.114 654.85E-06 1.970 602.342 654.002 1.245 627.743 626.005 1.99E-06 2.13E-07 0.745 0.247 654.970 606.TW Coefficients TCW Coefficients Other a' 381.87E-06 1.007 1.1593 e 255.92E-06 2.899 634.002 2.494 654.06E-07 0.706 632.270 630.94E-07 0.000 654.209 654.120 0.08E-07 0.008 1.86E-06 1.03E-06 2.568 0.168 633.007 1.509 632.333 0.970 607.81E-06 1.94E-06 2.005 1.06E-06 2.848 0.84E-07 0.969 608.968 599.86E-07 0.89E-06 1.6843 Mole Fraction d' 0.87E-07 0.002 2.272 626.84E-07 0.00E-07 0.966 615.8133 a 345.355 0.18E-07 0.338 0.969 601.019 654.004 1.149 0.824 0.93E-07 0.700 635.965 596.156 631.969 610.004 1.965 630.152 654.969 609. K X kPRED.285 654.20E-07 0.214 0.75E-06 1.5012 f' 0 f -0.90E-07 0.965 616. s−1 Rate.88E-07 0.1515 i 58.266 0.589 654.91E-07 0.97E-06 2.002 1.007 1.000 2.119 0.399 654.323 654.053 628.24E-07 0.816 0.967 613.563 0.85E-07 0.791 634.361 654.467 0. K TCW.922 631.76E-06 1.592 629.968 612.11E-07 0.677 630.0687 d 0.02E-07 0.926 0.89E-07 0.795 0.003 1.816 625.3455 b 0.968 611. K TAVE.605 XPRED 0.190 654.88E-06 1.739 0.321 627.133 654.22E-07 0.0758 h 0.317 g' 0 g -125.970 605.970 605.08E-06 2.475 654.95E-07 0.14E-07 0.006 1.966 597.882 627.000 2.79E-06 1.99E-07 0.970 602.996 0.057 654. s−1 0.05E-06 2.879 0.513 654.967 597.460 628.568 636.007 1.83E-07 0.96E-06 2.04E-07 0.005 1.729 626.969 600.75E-06 1.171 654.129 0.001 2.78E-06 1.003 1.095 654.228 654.82E-07 .1955 H2 (g).02E-06 2.511 0.891 0.968 598.9629 c 16.003 1.437 654.967 613.970 608.967 598.551 654.03E-07 0.97E-07 0.970 604.663 628.626 635.289 629. K 625.006 1.304 654.407 631.433 0.968 599.526 636.001 2.09E-07 0.80E-06 1.372 0. cm TW.570 654.77E-06 1.16E-07 0.12E-06 2.005 1.001 2.10E-06 2.969 600.4108 j 0 k 0 TAVE.022 z.82E-06 1.003 1.229 626.024 633.645 0.966 614.963 618.007 1.946 0.96E-07 0.451 0.038 654.380 654.90E-06 2. mol s−1 c' 131.964 617.7075 e' 26.83E-06 1. mol s−1 b' 0.076 654.781 0.3763 MCH (l).004 1.532 654.189 0.00E-06 2.74E-06 1.970 603.001 2.93E-06 2.970 603.598 0.004 1.266 654.006 1.006 1.418 654.456 654.84E-06 1.329 633.932 629.775 627.

471 0.64E-06 1.915 589.949 590.857 622.181 622.920 589.67E-06 1.118 623.442 622.63E-06 1.704 622.139 0.63E-06 1.69E-07 1.255 0.62E-06 1.071 0.014 1.009 1.62E-06 1.646 654.66E-06 1.438 0.007 624.964 595.659 624.874 654.914 589.018 1.944 589.68E-06 1.75E-07 0.178 654.537 0.960 594.444 654.142 0.608 654.898 622.74E-07 0.945 590.906 590.216 654.012 1.633 0.153 622.69E-07 1.893 654.924 589.962 594.593 622.163 0.70E-07 1.010 1.73E-07 0.011 1.65E-06 1.042 0.63E-06 1.018 1.368 624.011 1.71E-07 0.951 591.930 589.017 1.320 622.64E-06 1.053 0.62E-06 1.64E-06 1.62E-06 1.909 590.665 654.70E-07 1.64E-06 1.950 590.013 1.945 625.960 593.63E-06 1.373 625.045 0.045 654.276 0.008 1.62E-06 1.963 595.015 1.016 1.69E-07 1.064 654.539 654.62E-06 1.69E-07 1.63E-06 1.276 622.80E-07 0.935 589.224 622.798 654.014 1.817 654.72E-07 0.63E-06 1.946 590.72E-07 0.530 625.68E-07 1.68E-07 1.272 0.779 654.400 623.964 622.015 1.68E-07 1.016 1.760 654.937 589.943 589.612 622.63E-06 1.493 622.010 1.932 589.017 1.013 1.004 623.76E-07 0.62E-06 1.018 1.957 592.013 1.059 0.912 654.311 654.74E-07 0.036 0.156 622.917 589.011 1.848 623.68E-07 1.928 589.703 654.77E-07 0.095 0.923 589.69E-07 1.235 654.008 1.912 589.592 623.014 1.484 0.62E-06 1.011 1.014 1.121 654.911 590.68E-07 1.68E-07 1.418 622.508 622.008 1.68E-07 1.956 592.016 1.80E-07 0.741 654.331 622.907 590.463 654.406 654.68E-07 1.185 622.018 1.68E-07 1.63E-06 1.852 0.500 622.015 1.254 654.62E-06 1.549 0.68E-07 1.144 622.70E-06 1.68E-07 1.81E-07 0.969 654.68E-07 1.268 622.012 1.224 0.140 654.722 654.675 0.70E-07 1.482 654.742 624.942 589.68E-07 1.965 596.931 589.014 1.68E-07 1.728 622.009 1.948 590.292 654.247 0.62E-06 1.71E-07 0.696 623.961 594.117 623.197 654.678 0.016 1.325 624.400 0.017 1.67E-06 1.78E-07 0.511 0.150 0.083 654.71E-06 1.69E-07 1.112 622.010 1.62E-06 1.959 593.963 595.938 589.940 589.950 654.69E-07 1.72E-06 1.62E-06 1.836 654.341 622.73E-06 1.62E-06 1.68E-07 1.310 0.349 654.927 589.78E-07 0.126 0.76E-07 0.371 0.501 654.981 0.954 591.017 1.684 654.007 654.627 654.71E-06 1.159 654.939 589.70E-06 1.958 593.62E-06 1.368 654.015 1.669 0.988 654.664 0.271 622.454 0.026 654.68E-07 1.62E-06 1.63E-06 1.765 0.016 1.387 654.73E-06 1.011 1.145 622.918 589.953 591.69E-07 .65E-06 1.129 625.955 592.998 622.68E-07 1.015 1.105 0.925 589.73E-07 0.013 1.79E-07 0.63E-06 1.102 654.406 622.401 0.206 0.310 0.018 1.046 0.330 654.931 654.009 1.67E-06 1.590 0.218 622.65E-06 1.273 654.66E-06 1.693 622.68E-07 1.079 0.924 0.69E-06 1.826 0.009 1.724 0.68E-06 1.178 0.68E-07 1.855 654.828 622.821 0.158 622.625 622.010 1.75E-07 0.921 589.64E-06 1.0.64E-06 1.934 589.037 0.335 0.952 591.012 1.425 654.012 1.64E-06 1.034 0.71E-07 0.520 654.348 623.010 1.013 1.

634 624.72E-07 1.68E-06 1.267 624.64E-06 1.260 0.899 591.898 591.019 1.558 654.75E-07 1.077 0.035 623.691 654.020 1.862 654.022 1.843 654.904 590.672 654.415 0.465 623.634 654.75E-07 1.71E-06 1.895 592.022 1.66E-06 1.702 623.019 1.987 625.893 592.021 1.890 593.76E-07 1.906 0.933 624.70E-07 1.963 0.239 623.70E-06 1.019 1.896 591.946 624.070 0.818 622.786 654.72E-06 1.683 0.69E-06 1.66E-06 1.70E-07 1.71E-07 1.020 1.65E-06 1.885 593.021 1.71E-07 1.74E-07 1.72E-06 1.874 595.73E-07 1.022 1.729 654.020 1.277 625.67E-06 1.900 654.65E-06 1.021 1.628 625.903 591.431 0.77E-07 .748 654.67E-06 1.767 654.252 0.861 0.020 1.820 0.73E-07 1.883 594.473 623.886 593.109 0.824 654.67E-06 1.901 591.550 0.70E-06 1.68E-06 1.880 594.575 0.019 1.653 654.881 654.71E-07 1.596 624.70E-07 1.330 624.021 1.1.182 0.022 1.878 595.73E-07 1.805 654.300 0.739 0.615 654.962 0.949 623.891 592.881 594.65E-06 1.749 623.022 1.69E-06 1.019 1.023 622.74E-07 1.596 654.020 1.206 623.71E-06 1.70E-07 1.577 654.422 0.876 595.72E-07 1.710 654.76E-07 1.888 593.

105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.106 0.105 0.105 .105 0.3.77E-04 0.27E-05 2.106 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.105 0.106 0.105 0.106 xMCH 0.105 0.105 0.105 0.106 0.

103 0.104 0.104 0.104 0.104 0.103 0.104 0.105 0.104 0.105 0.103 0.104 0.103 0.104 0.103 .104 0.104 0.104 0.104 0.104 0.104 0.104 0.104 0.103 0.104 0.103 0.104 0.104 0.0.104 0.103 0.103 0.104 0.104 0.104 0.103 0.104 0.104 0.104 0.104 0.104 0.104 0.103 0.103 0.103 0.104 0.104 0.104 0.104 0.104 0.103 0.

103 0.103 .103 0.103 0.103 0.103 0.103 0.0.103 0.103 0.103 0.103 0.103 0.103 0.103 0.103 0.103 0.103 0.103 0.103 0.

475 654.08E-07 0.3455 b -1.968 598.012 1.141 0.966 596.366 626.969 601.294 638.285 654.634 0.012 1.84E-07 0.12E-07 0.04E-06 2.969 601.02E-07 0.1593 e 947. K TAVE.002 2.683 0.80E-06 1.006 2.313 632.965 595.057 654.510 0. s−1 0.06E-06 2.15E-06 2.399 654.387 635.970 608.970 604.005 2.224 638.003 2.436 625.200 0.008 1.589 654.17E-06 2. cm TW.014 1.000 654.3659 g' 0 g -524.0687 d 2.323 654.594 0.966 619.494 654.72E-06 1.02E-06 2.001 2.114 654.570 654.013 1.6098 e' 26.968 598. mol s−1 c' 131.88E-06 1.98E-07 0.006 2.96E-07 0.968 616.670 0.3861 H2 (g).004 2.969 612.171 654.651 0.8133 a 349.247 654.73E-06 1.4172 i 159.076 654.015 1.152 654.404 636.514 0.099 628.014 1.968 615.016 1.10E-06 2.541 629. s−1 Rate.345 637.007 1.967 617.353 631.418 654.311 632.TW Coefficients TCW Coefficients Other a' 381.532 654.186 0.370 634.93E-07 0.08E-06 2.966 620.25E-07 0.82E-06 1.97E-06 2.78E-06 1.95E-06 2.755 0.99E-06 2.641 0. K TCW.27E-07 0.772 628.969 614.003 2.160 0.645 629.001 2.178 0.398 636.326 631.92E-06 2.132 639.970 611.85E-06 1.970 605.967 618.044 z.397 630.513 654.75E-06 1.923 628.551 654.380 654.000 2.446 0.967 596.970 609.83E-07 0.00E-07 0.80E-07 0.970 610.33E-07 0.23E-07 0.342 654.968 599.6669 f' 0 f -1.84E-06 1.970 606.16E-07 0.31E-07 0.832 0.19E-06 2.970 602.002 2.964 622.969 600.682 0.361 654.04E-07 0.74E-06 1.79E-07 0.190 654.85E-07 0.162 0.266 654.14E-07 0.379 637.013 1.011 1.048 0.12E-06 2.78E-07 .004 2.6367 j 0 k 0 TAVE.459 630.009 1.697 625.81E-06 1.656 0.095 654.6821 h 0.781 626.77E-06 1.06E-07 0.93E-06 2.91E-07 0.214 0.965 621.133 654.970 603.060 626.81E-07 0.21E-06 2.030 XPRED 0.007 1.010 1.209 654.90E-07 0. K 625.019 654.038 654.87E-07 0. mol s−1 b' 0.304 654.10E-07 0.009 1. K X kPRED.300 627.13E-06 2.871 0.319 633.9824 MCH (l).307 0.144 0.334 633.527 627.054 625.012 1.88E-07 0.352 634.76E-06 1.228 654.684 0.90E-06 1.130 0.9629 c -532.963 623.87E-06 1.874 0.648 0.015 1.18E-07 0.456 654.969 613.95E-07 0.166 0.00E-06 2.970 607.967 597.008 1.3508 Mole Fraction d' 0.248 0.011 1.034 0.29E-07 0.173 0.399 635.010 1.20E-07 0.437 654.

793 0.021 620.589 0.779 654.75E-07 0.71E-06 1.67E-07 0.797 620.64E-07 0.643 620.021 1.001 620.608 654.60E-07 1.62E-07 1.406 654.646 654.185 0.62E-07 1.241 0.66E-07 0.951 588.034 1.493 0.911 587.656 621.59E-07 1.026 654.235 654.921 586.575 620.961 592.969 654.57E-06 1.821 620.963 593.031 1.942 586.963 593.58E-06 1.722 654.60E-06 1.917 586.254 654.59E-07 1.57E-06 1.343 621.452 621.216 654.725 624.60E-07 1.644 0.828 0.526 0.027 1.019 1.58E-06 1.895 622.65E-07 0.60E-07 1.59E-06 1.083 654.561 0.909 587.272 624.029 1.965 594.66E-07 0.745 0.425 654.73E-07 0.920 586.64E-06 1.918 586.374 0.948 587.665 654.726 0.58E-06 1.744 622.61E-07 1.287 620.028 1.065 622.140 654.988 654.944 586.066 620.836 654.925 585.020 1.70E-07 0.59E-06 1.57E-06 1.905 621.035 1.65E-06 1.581 0.953 588.024 1.915 586.201 624.932 585.023 1.68E-07 0.70E-06 1.017 1.479 0.757 623.931 654.364 0.114 620.960 591.912 654.798 654.222 620.59E-07 1.032 1.022 1.487 620.026 1.364 0.939 586.349 654.57E-06 1.035 1.62E-07 1.934 585.883 620.60E-07 1.368 654.025 1.800 620.60E-07 1.007 654.61E-07 1.923 585.127 621.016 1.533 0.031 1.57E-06 1.670 0.65E-06 1.197 654.627 654.980 620.60E-06 1.69E-06 1.60E-07 1.075 0.949 587.370 0.817 654.946 587.879 0.698 623.760 654.702 0.954 589.958 590.009 0.024 1.036 1.064 654.914 586.021 1.928 585.855 654.57E-06 1.311 654.919 0.539 654.544 0.60E-07 1.59E-06 1.347 620.59E-06 1.020 1.938 586.750 621.138 0.493 622.204 621.034 1.045 654.952 588.903 0.417 0.930 585.945 587.684 654.482 654.501 654.973 0.703 654.022 1.168 620.520 654.423 620.036 1.940 586.814 620.025 1.025 1.017 1.964 594.74E-07 0.350 0.159 654.57E-06 1.60E-07 1.955 589.912 586.950 654.61E-06 1.302 0.031 1.852 0.58E-06 1.359 0.59E-07 1.59E-07 1.428 0.842 624.61E-06 1.029 1.714 0.906 587.58E-06 1.019 0.57E-06 1.57E-06 1.363 0.61E-07 1.330 654.396 622.61E-06 1.66E-06 1.70E-07 0.029 1.62E-06 1.57E-06 1.58E-06 1.58E-06 1.67E-06 1.830 0.033 1.385 0.67E-06 1.58E-06 1.927 0.944 620.618 0.927 620.59E-07 1.69E-07 0.59E-07 1.927 585.60E-07 1.463 654.030 1.950 587.60E-06 1.121 654.387 654.032 1.440 0.422 621.57E-06 1.027 1.59E-06 1.019 1.60E-07 1.408 0.874 654.344 0.028 1.020 1.178 654.292 654.63E-06 1.017 1.126 0.0.61E-07 .217 623.63E-07 1.943 586.957 590.68E-06 1.63E-07 0.603 0.59E-06 1.61E-07 1.034 1.822 621.910 620.77E-07 0.65E-07 0.959 590.64E-07 0.022 1.741 654.026 1.72E-07 0.273 654.809 620.033 1.027 1.63E-06 1.575 621.59E-07 1.931 585.60E-07 1.110 622.030 1.924 585.57E-06 1.444 654.907 587.102 654.175 0.956 589.60E-07 1.59E-06 1.857 620.391 0.451 0.962 592.032 1.018 1.67E-07 0.76E-07 0.316 623.57E-06 1.023 1.937 586.018 1.935 585.743 620.082 0.58E-06 1.838 620.171 621.59E-07 1.60E-06 1.893 654.62E-06 1.960 591.71E-07 0.

893 590.038 1.811 0.716 0.805 654.885 592.68E-07 1.70E-06 1.280 622.67E-07 1.043 1.653 621.596 654.038 1.044 1.65E-06 1.881 654.030 0.038 1.043 1.494 0.62E-07 1.184 0.66E-07 1.962 622.895 589.255 0.1.960 621.634 654.61E-06 1.878 594.890 591.64E-07 1.60E-06 1.480 623.179 624.710 654.886 591.632 0.036 1.899 588.70E-07 1.824 654.777 0.888 591.556 624.898 589.896 589.862 654.62E-07 1.903 588.089 0.881 593.69E-06 1.037 1.67E-06 1.71E-06 1.615 654.69E-07 1.61E-07 1.68E-06 1.64E-06 1.67E-06 1.387 0.63E-06 1.041 1.254 0.596 0.041 1.040 1.084 621.63E-07 1.032 624.66E-06 1.70E-07 .039 1.653 654.786 654.843 654.883 592.65E-06 1.615 622.874 595.62E-06 1.65E-07 1.767 654.63E-07 1.64E-07 1.040 1.63E-06 1.691 654.043 1.62E-07 1.308 623.68E-07 1.577 654.67E-07 1.901 588.66E-07 1.082 622.64E-06 1.483 0.876 594.900 654.042 1.608 0.696 622.558 654.041 1.904 588.039 1.748 654.088 624.672 654.729 654.428 0.62E-06 1.65E-07 1.794 0.042 1.323 622.953 0.930 0.888 623.361 621.739 623.037 1.891 590.70E-06 1.629 624.880 593.986 0.61E-06 1.

104 0.103 .106 xMCH 0.104 0.105 0.104 0.104 0.105 0.104 0.104 0.106 0.104 0.1.105 0.105 0.104 0.104 0.105 0.104 0.104 0.105 0.105 0.105 0.104 0.104 0.38E-04 0.105 0.106 0.105 0.105 0.104 0.105 0.63E-05 1.105 0.105 0.104 0.

101 0.103 0.102 0.102 0.102 0.103 0.103 0.103 0.103 0.102 0.102 0.103 0.101 0.103 0.101 0.101 0.102 0.101 0.101 0.103 0.102 0.101 0.102 0.102 0.102 0.103 0.101 0.101 0.103 0.101 0.103 0.101 0.103 0.102 0.0.102 0.101 0.102 0.103 0.102 0.101 0.101 .102 0.103 0.102 0.101 0.101 0.103 0.102 0.103 0.102 0.

101 0.100 0.100 0.100 0.100 0.101 0.100 0.100 .100 0.100 0.100 0.100 0.100 0.100 0.101 0.0.100 0.100 0.100 0.100 0.

2 8 626 0.5 0.534 0.6 0.014 0.3 0.7 3 589 0.8 0.First Order Model Voidage 0.1 EA.278 0.022 0.4 0.022 0.641 0.9061947251 0.031 0.524 0.0 R² = 0.199 0.947 0.142 0.044 0.285 0.177 7.921 0.9 1.0 Run TAVE XOBS XPRED R2 0.5 5 602 0.008 0.1 9 625 0.724 0.010 0.4 6 606 0.527 0.5 k0.789 0. kJ mol−1 60000 56500 First Order Model 1.848 0.622 0.467 XOBS .3 7 617 0.376 0.5 0.410 0.6 4 605 0.010 0.0 Total 0.006 0.895 0.8 2 588 0.447 0.9 XPRED 1 586 0.7 0. s−1 0.