Korelasi NRTL Dan UNIQUAC Parameter Gabungan
Transcript of Korelasi NRTL Dan UNIQUAC Parameter Gabungan
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1. Menghitung nilai ia dan ib0.2 Trial :
R 1.987 cal/mol.K A12 A21 A13 A31
T 313.15K 1242.07 -2856.75 2778.45 -323.41
0 0 0 0
Menghi!ng "i#$ "#i$ %i#$ &an %#i
'om( "i# "#i %i# %#i "ii 0
1 &an 2 1.996164 -4.591153 0.670834 2.504854 %ii 1
1 &an 3 4.46531 -0.519758 0.4094 1.109547
2 &an 3 -2.482641 3.635207 1.643007 0.483337
'om( 1 )aer
'om( 2 er-*!anol
'om( 3 +M,
am(el
1 0.04809 0.051 0.90091 0.49948 0.12018 0.38034 3.370023
2 0.06068 0.05843 0.88089 0.19789 0.10679 0.69532 3.226953
3 0.03526 0.0422 0.92254 0.61679 0.0955 0.28771 3.542764
4 0.03764 0.03709 0.92527 0.64611 0.08455 0.26934 3.62269
5 0.02904 0.00903 0.96193 0.78434 0.04065 0.17501 4.160382
6 0.04102 0.02289 0.93609 0.70935 0.06479 0.22586 3.86318
7 0.0136 0 0.9864 0.82417 0 0.17583 4.39193
4-1$2-0$5 0.008093 0.249173 0.742735 0.751719 0.208943 0.039338 1.403009
am(el 1 2 3
1 0.071647 5.41-005 0.000815 29.07919 2.180749 1.072661
2 0.066801 0.051626 0.001404 25.20276 2.062341 1.098262
3 0.120145 0.07553 4.05-005 34.56232 2.328999 1.048171
4 0.03949 0.118997 0.000172 37.43815 2.366098 1.040654
5 0.067023 0.022916 3.16-005 64.09601 2.760694 1.005231
6 0.035791 0.102665 8.10-005 47.61653 2.496977 1.021455
7 0.075522 +/0 0.005049 80.79621 3.035083 1.000105
4-1$2-0$5 8.695233 0.338924 1.71994 4.067421 1.376587 1.993692
0.8558
Mencari calc!laion
am(el K1 K2 K3
1 0.12583 0.427495 2.437296 0.062785 0.050276 0.886939 0.498963
2 0.397072 0.686725 1.315257 0.077235 0.066695 0.856071 0.194511
nilai
1a 2a 3a 1* 2* 3* ln 1a
1a 2a 3a
1a calc 2a calc 3a calc 1* calc
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3 0.08085 0.335702 3.186151 0.05016 0.029525 0.920314 0.620415
4 0.071064 0.310692 3.390618 0.046118 0.024675 0.929208 0.648964
5 0.02858 0.190934 5.527431 0.022408 0.007949 0.969643 0.784054
6 0.04786 0.256439 4.107429 0.033905 0.017333 0.948762 0.708423
7 0.021721 0.128219 5.225156 0.017899 0 0.982101 0.824076
4-1$2-0$5 0.205432 0.666252 5.087014 0.1155 0.218355 0.65444 0.56223
am(el 1 2 3
4$5$1 R R R
4$4$4
4-3-0$5
4$3$1
4-4-0$5
4-2-1$5
4-2-0$5
4-1$2-0$5
R
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A23 A32
-1544.77 2261.93
0 0
0.779669 0.0701422868 1.297199 -0.0701434233 0.9610314018
0.723842 0.093728957 2.303315 0.3480200415 0.3677612536
0.845438 0.0470463796 1.027604 -0.2460939691 1.2058601261
0.861242 0.0398495447 0.978509 -0.3077124697 1.2608618933
1.015482 0.0052176373 0.605325 -0.6403445644 1.7149407148
0.915081 0.0212279256 0.823705 -0.4457850358 1.4340252556
1.110239 0.0001048724 0.562436 -0.9437774674 1.6535896113
0.319607 0.6899882 -0.179633 -0.0864803724 2.3166792188
3.659033 0.9322601025 2.614392
10.0073 1.4162606334 1.444497
2.794362 0.7818487518 3.33963
2.660487 0.7351266588 3.528461
1.831848 0.5271107692 5.556346
2.278928 0.6403214034 4.195553
1.754942 0.3891550349 5.225704
0.835577 0.9171535502 10.14194
0.117606 0.3834302844 0.04809 0.051 0.90091 0.49948
0.09712 0.7083693533 0.06068 0.05843 0.88089 0.19789
ln 2a ln 3a ln 1* ln 2* ln 3*
1* 2* 3*
2* calc 3* calc
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0.087951 0.2916343974 0.03526 0.0422 0.92254 0.61679
0.079419 0.2716169367 0.03764 0.03709 0.92527 0.64611
0.041633 0.1743136975 0.02904 0.00903 0.96193 0.78434
0.067591 0.2239861412 0.04102 0.02289 0.93609 0.70935
0 0.1759243345 0.0136 0 0.9864 0.82417
0.327737 0.1286491181 0.116868 0.220941359 0.6621909719 0.551955
am(el
1 0.0004280744 3.75512286-005 0.0003905231
2 0.0012335794 0.0007567095 0.0004768699
3 0.0004731509 0.0023817706 -0.0019086196
4 0.0002811683 0.0001520482 0.0001291201
5 0.0001061715 0.0006085091 -0.0005023376
6 0.0002542965 0.0007492665 -0.00049497
7 3.69878-005 3.23792597-007 0.000036664
4-1$2-0$5 0.078276673 0.291195672 -0.212918999 0.0028134288 0.004686179
RM+ 0.008184522 0.0105629394
0.0069820946
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am(le am(le
4$5$1 -0.940976 0.038498 -0.290535 4.563036 4$5$1
4$4$4 -0.996229 0.051038 -0.308743 4.480887 4$4$4
4-3-0$5 -0.873572 0.026449 -0.260986 4.650873 4-3-0$5
4$3$1 -0.829728 0.026989 -0.235787 4.661216 4$3$1
4-4-0$5 -0.588569 0.015275 -0.069116 4.802792 4-4-0$5
4-2-1$5 -0.706319 0.025482 -0.157791 4.701807 4-2-1$5
4-2-0$5 -0.513379 0.006301 0 4.899008 4-2-0$5
4-1$2-0$5 -2.26175 0.012568 -0.150877 3.803068 4-1$2-0$5
am(le am(le
4$5$1 3.175847 -0.100181 -0.312256 -1.983742 4$5$1
4$4$4 3.103443 -0.12355 -0.345462 -1.910589 4$4$4
4-3-0$5 3.259683 -0.075508 -0.2688 -2.069937 4-3-0$5
4$3$1 3.289386 -0.082076 -0.23943 -2.106637 4$3$1
4-4-0$5 3.503975 -0.069684 -0.064122 -2.354687 4-4-0$5
4-2-1$5 3.380039 -0.094021 -0.15386 -2.217077 4-2-1$5
4-2-0$5 3.604432 -0.033575 0 -2.460618 4-2-0$5
4-1$2-0$5 2.144491 -0.008683 -0.870853 -0.945348 4-1$2-0$5
am(le am(le
4$5$1 -0.11959 0.008257 0.074207 0.107269 4$5$1
4$4$4 -0.127186 0.011816 0.097256 0.111843 4$4$4
4-3-0$5 -0.107 0.005075 0.050878 0.098092 4-3-0$5
4$3$1 -0.082347 0.004769 0.041358 0.07607 4$3$1
4-4-0$5 0.016441 0.000827 0.003946 -0.015997 4-4-0$5
4-2-1$5 -0.018556 0.003163 0.019084 0.017537 4-2-1$5
4-2-0$5 0.025063 -3.6-005 0 -0.024923 4-2-0$5
4-1$2-0$5 -0.866839 0.004995 0.994615 0.557217 4-1$2-0$5
*ea ;i
0.12018 0.38034 0.7 1
0.10679 0.69532 0.522478 2
ln 1a
ln 2a
ln 3a
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0.0955 0.28771 0.649561 3
0.08455 0.26934 0.537391 4
0.04065 0.17501 0.762497 5
0.06479 0.22586 0.612668 6
0 0.17583 0.401991 7
0.321747 0.126298 0.613953 4-1$2-0$5
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ln 1*
-1.309944 0.535199 -0.045263 2.1172067946
-1.317104 0.210726 -0.272609 3.6823018996
-1.075692 0.56455 -0.021224 1.5599707142
-0.974865 0.544522 -0.022482 1.4313354667
-0.526137 0.381981 -0.013798 0.7632799044
-0.78 0.493025 -0.019062 1.1297422428
-0.099484 0.080443 0 0.5814775743
-1.839309 1.04846 0.37671 0.2345060007
ln 2*
2.092256 -0.899315 -0.393451 -0.8696323212
2.582787 -0.351398 -0.479167 -1.4042022164
2.053686 -1.237689 -0.302514 -0.7595776932
2.064971 -1.355029 -0.269366 -0.7482884434
2.084436 -1.979793 -0.130077 -0.6149106908
2.072489 -1.616017 -0.206639 -0.6956186559
2.214539 -2.436431 0 -0.7218853391
1.469119 -1.052292 -0.419213 -0.0840953106
ln 3*
0.540578 0.206553 0.476725 -0.2628243979
-0.077573 0.06787 0.320795 0.0566700005
1.058637 0.20137 0.382759 -0.4369056125
1.243024 0.178937 0.336537 -0.497635295
2.252662 0.003639 0.159001 -0.7003612507 1.670972
1.658027 0.121365 0.256 -0.6013662161
2.935563 -0.276295 0 -1.0056788073
0.756009 0.588217 1.01553 -0.043076779
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0.25 0.05 0.7 1
0.325 0.05 0.625 1
0.203301 0.015949 0.78075 1
0.295168 0.036799 0.668033 1
0.5 0 0.5 1
0.287959 0.260582 0.45146 1
0.125 0.075 0.8 69
0.15 0.05 0.8
0.25 0.05 0.7
0.325 0.05 0.625
0.2 0.025 0.775
0.3 0.025 0.675
0.5 0 0.5
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1. Menghitung nilai ia dan ib0.2 Trial :
R 1.987 cal/mol.K A12 A21
T 303.15 K 563.4353 -3360.88
0 0
Menghi!ng "i#$ "#i$ %i#$ &an %#i
'om( "i# "#i %i# %#i
1 &an 2 2.062012 -4.742601 0.662058 2.581886
1 &an 3 4.612607 -0.536904 0.397516 1.113358
2 &an 3 -2.564536 3.755122 1.670139 0.471883
'om( 1 )aer
'om( 2 er-*!anol
'om( 3 +M,
am(el
1 0.70933 0.07013 0.22053 0.0293 0.01378
2 0.68419 0.07942 0.23639 0.04432 0.0245
3 0.65157 0.09459 0.25384 0.05039 0.0309
4 0.53548 0.1121 0.35242 0.0538 0.0461
5 0.32513 0.13597 0.5389 0.09857 0.07504
6 0.77563 0.05173 0.17264 0.01408 0.005
7 0.85481 0 0.14519 0.01408 0
4-1$2-0$5 0.008093 0.249173 0.742735 0.751719 0.208943
am(el 1 2 3
1 0.031795 0.043246 0.0002 2.332213
2 0.100498 0.007669 0.000688 2.46722
3 0.099302 0.000356 0.00161 2.575022
4 0.00217 0.00014 0.001698 3.641924
5 0.000645 0.02264 0.008406 5.911622
6 0.041399 0.45105 0.000615 1.892594
7 2.21-006 +/0 0.001042 1.563092
4-1$2-0$5 8.46672 0.304112 1.795194 4.201782
0.815172
Mencari calc!laion
am(el K1 K2 K3
1 28.9348 4.133714 0.227219 0.711654 0.065235
2 21.19603 3.538321 0.247288 0.683551 0.079038
nilai
1a 2a 3a 1* 2*
1a
1a calc 2a calc
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3 17.72037 3.119503 0.265435 0.650738 0.089704
4 9.500129 2.46059 0.375728 0.53531 0.111823
5 3.383311 1.558847 0.594982 0.323471 0.136165
6 44.94564 5.285659 0.171688 0.775623 0.051408
7 60.80132 8.338957 0.142586 0.854414 0
4-1$2-0$5 0.197573 0.687029 4.944656 0.112138 0.221609
am(el 1 2 3
4$5$1 R R R
4$4$4
4-3-0$5
4$3$1
4-4-0$5
4-2-1$5
4-2-0$5
4-1$2-0$5
R
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A13 A31 A23 A32
2768.516 -366.9784 -2256.396 2242.8673164
0 0 0 0
"ii 0
%ii 1
0.95692 0.846817 -0.394523 1.4913328072 4.211863 1.024653 0.00949
0.93118 0.903092 -0.333722 1.4233830684 3.956906 0.92993 0.026182
0.91871 0.945858 -0.252986 1.3648085715 3.820573 0.884688 0.038423
0.9001 1.292512 -0.089091 1.047802519 3.543818 0.81131 0.068913
0.82639 1.77692 0.170528 0.6953533612 2.995775 0.614475 0.17613
0.98092 0.637948 -0.547425 1.7636402868 4.443402 1.117573 0.001564
0.98592 0.446666 -0.974081 1.9479183258 4.554277 1.146857 0.000109
0.039338 1.435509 0.320534 0.7523336009 -0.186139 -0.054846 2.350641
0.674002 4.443013 67.48211 2.7861298602 1.009535
0.716253 4.15114 52.29529 2.5343327253 1.026528
0.776479 3.914974 45.63034 2.4222276257 1.039171
0.914763 2.851378 34.59875 2.2508556396 1.071343
1.185931 2.004417 20.00086 1.8486849077 1.192593
0.578437 5.833635 85.06384 3.0574234559 1.001565
0.377539 7.014071 95.03804 3.1482824961 1.000109
1.377863 2.121946 0.830158 0.9466310367 10.49229
0.223111 0.024595 0.015781 0.9596237989 0.711654 0.065235 0.223111 0.024595
0.237411 0.032249 0.022338 0.9454133197 0.683551 0.079038 0.237411 0.032249
3* ln 1a ln 2a ln 3a ln 1* ln 2* ln 3*
2a 3a 1* 2* 3*
3a calc 1* calc 2* calc 3* calc
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0.259558 0.036723 0.028756 0.9345214835 0.650738 0.089704 0.259558 0.036723
0.352868 0.056348 0.045445 0.8982069125 0.53531 0.111823 0.352868 0.056348
0.540364 0.095608 0.08735 0.8170422601 0.323471 0.136165 0.540364 0.095608
0.172968 0.017257 0.009726 0.9730170718 0.775623 0.051408 0.172968 0.017257
0.145586 0.014053 0 0.9859474447 0.854414 0 0.145586 0.014053
0.652374 0.567576 0.322562 0.1319351035 0.113716 0.224728 0.661556 0.555319
am(el
1 0.000069481 3.76-005 3.19-005
2 0.0003545683 0.000757 -0.000402
3 0.000498652 0.002382 -0.001883
4 1.08089-005 0.000152 -0.000141
5 0.0002526202 0.000609 -0.000356
6 9.50955-005 0.000749 -0.000654
7 3.15345-007 3.24-007 -8.4-009
4-1$2-0$5 0.0751422471 0.291196 -0.216053 0.0012815414 0.004686
RM+ 0.0055238474 0.010563
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am(le am(le
4$5$1 -0.872026 0.544537 -0.013797 1.188103 4$5$1
4$4$4 -0.966473 0.573788 -0.012412 1.308188 4$4$4
4-3-0$5 -1.111653 0.614661 -0.004545 1.447395 4-3-0$5
4$3$1 -1.300698 0.572176 -0.036425 2.05746 4$3$1
4-4-0$5 -1.557047 0.396687 -0.143793 3.081074 4-4-0$5
4-2-1$5 -0.668807 0.470988 -0.009984 0.845751 4-2-1$5
4-2-0$5 -0.085384 0.071806 0 0.460245 4-2-0$5
4-1$2-0$5 -2.364154 0.012942 -0.139919 3.926641 4-1$2-0$5
am(le am(le
4$5$1 2.111069 -1.600183 -0.229957 -0.675452 4$5$1
4$4$4 2.100988 -1.484242 -0.259124 -0.691344 4$4$4
4-3-0$5 2.074028 -1.329176 -0.303805 -0.694033 4-3-0$5
4$3$1 2.141665 -1.002415 -0.379322 -0.849018 4$3$1
4-4-0$5 2.310033 -0.537312 -0.518717 -1.083475 4-4-0$5
4-2-1$5 2.110353 -1.899346 -0.168807 -0.589625 4-2-1$5
4-2-0$5 2.244847 -2.592999 0 -0.62593 4-2-0$5
4-1$2-0$5 2.193596 -0.00862 -0.903424 -0.961019 4-1$2-0$5
am(le am(le
4$5$1 1.614261 0.152502 0.299098 -0.574528 4$5$1
4$4$4 1.426428 0.182264 0.340727 -0.526036 4$4$4
4-3-0$5 1.177003 0.221913 0.411269 -0.445376 4-3-0$5
4$3$1 0.666718 0.216055 0.477273 -0.312244 4$3$1
4-4-0$5 0.015387 0.147277 0.541951 -0.009263 4-4-0$5
4-2-1$5 2.116139 0.071681 0.219731 -0.643911 4-2-1$5
4-2-0$5 3.231745 -0.316349 0 -0.967477 4-2-0$5
4-1$2-0$5 -0.905599 0.005058 1.07408 0.578795 4-1$2-0$5
*ea
0.015781 0.959624 0.691942
0.022338 0.945413 0.48787
ln 1a
ln 2a
ln 3a
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0.028756 0.934521 0.184486
0.045445 0.898207 0.821886
0.08735 0.817042 0.423026
0.009726 0.973017 0.966212
0 0.985947 0.57826
0.315596 0.129086 0.613953
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ln 1*
-0.655371 0.016989 -0.111462 4.961707
-0.748595 0.028994 -0.180294 4.856802
-0.804441 0.035156 -0.215811 4.805669
-0.938362 0.042967 -0.289591 4.728804
-1.165343 0.094746 -0.348326 4.414698
-0.578663 0.00728 -0.043844 5.058629
-0.530104 0.006714 0 5.077668
-1.934101 1.089078 0.409721 0.249164
ln 2*
3.580615 -0.070147 -0.10179 -2.384025
3.467884 -0.102414 -0.172252 -2.263288
3.408552 -0.113945 -0.211586 -2.198333
3.294242 -0.115325 -0.299855 -2.067752
3.015341 -0.192553 -0.426719 -1.781594
3.682703 -0.034684 -0.038586 -2.49186
3.721864 -0.03532 0 -2.539687
1.511238 -1.047008 -0.435422 -0.083653
ln 3*
-0.005343 0.001392 0.008285 0.005156
-0.023918 0.003768 0.023828 0.022504
-0.040344 0.005411 0.03593 0.037426
-0.098956 0.008599 0.070064 0.089206
-0.141962 0.02485 0.174848 0.118393
0.004424 0.000235 0.001267 -0.004362
0.026038 -3.8-005 0 -0.025891
0.703526 0.607622 1.079769 -0.040277
;i
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4 0.009708 0.008687 0.013301 0.8482590761 0.734738 3.095735
5 0.039509 0.007781 0.008679 1.0004546046 0.7887 2.017928
6 0.026092 0.326282 0.015164 0.8983498815 0.735155 5.060839
7 0.046431 0.017937 0.9966839076 +/0 5.980612
4-1$2-0$5 0.5417206382 1.292885 1.131491
0.596255
am(el K1 K2 K3
1 29.26486 4.284923 0.232399 0.712043 0.0654770969 0.222479 0.024331
2 18.63568 3.247843 0.250644 0.685527 0.0778759776 0.236597 0.036786
3 15.56412 2.850925 0.270989 0.652133 0.0944666598 0.2534 0.0419
4 10.9838 2.669205 0.348886 0.534757 0.1147240545 0.350519 0.048686
5 4.023798 1.65898 0.594105 0.326876 0.1381259804 0.534998 0.081236
6 46.87058 5.843846 0.199062 0.77534 0.0520077306 0.172652 0.016542
7 48.94246 +/0 0.168368 0.85587 0 0.14413 0.017487
4-1$2-0$5 1.061184 1.027621 4.384748 0.305577 0.2677792728 1.979537 0.287959
am(el 1 2 3 am(el
1 -0.948533 -0.97516 -0.410473 1
2 -0.965419 -0.976879 -0.020305 2
3 -0.988447 -0.982561 1.014346 3
4 -0.85733 -0.925516 -0.463278 4
5 -0.927828 -0.920695 -0.099252 5
6 -0.76406 -0.959204 -0.781863 6
7 -0.985223 +/0 0.095289 7
4-1$2-0$5 -0.728644 -0.746423 -0.897039 4-1$2-0$5+/0
RM+
1a calc 2a calc 3a calc 1* calc
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A12 A21 A13 A31
-190.5125 -269.1624 142.3913 628.714808846
o!21 o!13 o!31 o!23 o!32
1.5757517903 0.455203 0.522051 0.905717 0.846395
2 3
-2.0288 -2.32
2a 3a 1b 2b 3b
0.1038345148 0.076577 0.087584 0.052783 0.859633
0.1187513677 0.082895 0.124649 0.088297 0.787054
0.1427561173 0.089847 0.137647 0.108161 0.754192
0.1829806393 0.134912 0.140332 0.154087 0.705581
0.2634652176 0.244895 0.222466 0.217021 0.560513
0.0741638347 0.058047 0.044659 0.020322 0.935019
0 0.048566 0.045365 0 0.954635
0.6681050812 0.329631 0.735763 0.262059 0.002178
ln 2a ln 3a ln 1* ln 2* ln 3*
-0.3163758263 1.483014 3.241713 1.138727 0.023713
-0.3055881714 1.431744 2.774015 0.872403 0.048024
-0.2763254512 1.366645 2.562658 0.771318 0.060967
-0.3082417959 1.130025 2.231852 0.673539 0.077014
-0.237369673 0.702071 1.392681 0.268834 0.181372
-0.3076740441 1.621532 3.740194 1.457715 0.007392
+/0 1.788523 3.887324 +/0 0.00692
0.2568758166 0.123536 -0.553619 0.284123 1.601668
25.5774919914 3.12279 1.023997
16.0228298905 2.392653 1.049196
12.97024688 2.162615 1.062863
1* 2* 3*
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9.3171083984 1.961165 1.080057
4.0256272661 1.308437 1.198861
42.1061764665 4.296132 1.007419
48.7801659338 +/0 1.006944
0.5748653406 1.328596 4.961303
0.0152808109 0.960388 0.70933 0.07013 0.22053 0.0293 0.01378
0.0239777561 0.939237 0.68419 0.07942 0.23639 0.04432 0.0245
0.0331354417 0.924965 0.65157 0.09459 0.25384 0.05039 0.0309
0.042980608 0.908333 0.53548 0.1121 0.35242 0.0538 0.0461
0.083259559 0.835505 0.32513 0.13597 0.5389 0.09857 0.07504
0.0088995721 0.974558 0.77563 0.05173 0.17264 0.01408 0.005
0 0.982513 0.85481 0 0.14519 0.01408 0
0.2605816402 0.45146
7.178423-005 0
0.00012616 0
0.0001167292 0
0.0001146955 0
0.000474041 0
6.190159-005 0
2.546690-005 0
2.23006134150.0009653115
0.0047941221
0.0056322394
2* calc 3* calc
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A23 A32 *1 *2 *3 *4 *5 *6
137.3623 -95.68495 0.655177 0.326463 0.090872 0.733904 0.447028 0.84784
r1 0.92 >1 1.4r2 3.9228 >2 3.744
r3 3.0613 >3 2.816
am(el 1 2 3 4 5 6 7
1 0.144482 -0.740554 -0.8348 -1.439746 0.003955 2.816 2.955593
2 0.154316 -0.803125 -0.8348 -1.494413 0.014318 2.816 2.963549
3 0.16362 -0.875418 -0.8348 -1.560239 0.037434 2.816 2.974517
4 0.242023 -1.27969 -0.8348 -1.900623 0.006773 2.816 3.001952
5 0.413521 -2.212173 -0.8348 -2.718093 -0.088601 2.816 2.988787
6 0.112273 -0.562591 -0.8348 -1.289964 -0.004312 2.816 2.932354
7 0.107092 -0.440448 -0.8348 -1.169174 -0.106802 2.816 2.92714
4-1$2-0$5 0.482729 -3.03751 -0.8348 -3.604352 0.297957 2.816 3.345819
am(el 1 2 3 4 5 6 7
1 0.392448 -0.294373 -2.0288 -1.844914 -0.029825 3.744 4.00439
2 0.402282 -0.377564 -2.0288 -1.914965 -0.036447 3.744 3.996917
3 0.411586 -0.473681 -2.0288 -1.999316 -0.044031 3.744 3.972777
4 0.489989 -1.01118 -2.0288 -2.43549 -0.086626 3.744 4.024367
5 0.661487 -2.250957 -2.0288 -3.483008 -0.182178 3.744 4.028286
6 0.360239 -0.057764 -2.0288 -1.652981 -0.010815 3.744 3.989145
7 +/0 +/0 -2.0288 +/0 0.001958 3.744 4.1303314-1$2-0$5 0.730695 -3.348281 -2.0288 -4.618676 -0.261587 3.744 3.721001
am(el 1 2 3 4 5 6 7
1 -1.05774 3.155459 -2.32 -0.432681 -0.795018 1.4 0.922405
2 -1.047906 3.124352 -2.32 -0.44911 -0.766966 1.4 0.940778
3 -1.038601 3.08841 -2.32 -0.468892 -0.729219 1.4 0.961275
ln 1a
ln 2a
ln 3a
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4 -0.960198 2.887423 -2.32 -0.571187 -0.615361 1.4 1.063747
5 -0.7887 2.423831 -2.32 -0.816857 -0.404487 1.4 1.234403
6 -1.089949 3.243935 -2.32 -0.387668 -0.865832 1.4 0.865954
7 -1.09513 3.30466 -2.32 -0.351367 -0.977072 1.4 0.829446
4-1$2-0$5 -0.719492 2.013507 -2.32 -1.083201 -0.077227 1.4 1.410907
*ea
0.95692 0.691668
0.93118 0.482803
0.91871 0.177146
0.9001 0.794768
0.82639 0.450921
0.98092 0.953426
0.98592 0.456251
0
A=
0.019254
0.019201
0.018107
0.021715
0.042472
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*7
0.65726
ln 1*
am(el 1 2 3 4 5 6
1 1.095007 -6.301174 -0.8348 -6.79288 -1.506435 2.816
2 1.034066 -5.879532 -0.8348 -6.319753 -1.324113 2.816
3 1.004898 -5.685727 -0.8348 -6.108367 -1.235066 2.816
4 0.958737 -5.40002 -0.8348 -5.808053 -1.075463 2.816
5 0.814007 -4.482734 -0.8348 -4.856361 -0.728861 2.816
6 1.154297 -6.727603 -0.8348 -7.287617 -1.688295 2.816
7 1.169976 -6.832614 -0.8348 -7.407465 -1.759285 2.816
4-1$2-0$5 -0.05391 -0.157764 -0.8348 -1.045934 0.401152 2.816
ln 2*
am(el 1 2 3 4 5 6
1 1.342973 -7.68747 -2.0288 -8.704508 -0.559767 3.744
2 1.282032 -7.126878 -2.0288 -8.098235 -0.524042 3.744
3 1.252864 -6.869205 -2.0288 -7.827361 -0.507355 3.744
4 1.206703 -6.489345 -2.0288 -7.442534 -0.482381 3.744
5 1.061973 -5.269771 -2.0288 -6.223021 -0.400314 3.744
6 1.402263 -8.254427 -2.0288 -9.338472 -0.595138 3.744
7 +/0 +/0 -2.0288 +/0 -0.603795 3.7444-1$2-0$5 0.194056 0.480472 -2.0288 -1.340277 0.034668 3.744
ln 3*
am(el 1 2 3 4 5 6
1 -0.107214 0.390947 -2.32 -2.041436 -0.048139 1.4
2 -0.168156 0.60057 -2.32 -1.89925 -0.072424 1.4
3 -0.197323 0.696922 -2.32 -1.835723 -0.082374 1.4
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4 -0.243484 0.838964 -2.32 -1.74547 -0.090161 1.4
5 -0.388214 1.295001 -2.32 -1.459462 -0.153104 1.4
6 -0.047924 0.178944 -2.32 -2.190118 -0.023038 1.4
7 -0.032246 0.126736 -2.32 -2.226135 -0.021461 1.4
4-1$2-0$5 -1.256131 3.445198 -2.32 -0.31433 -0.766789 1.4
;i
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'om( 1 )aer
'om( 2 Ter =!anol
'om( 3 +M,
r1 3.0613 >1 2.816 2 3.744 R
r3 0.92 >3 1.4 T
Trial
A12 A21 A13 A31 A23
-56.95059 -269.5459 188.3234 647.9811 72.43878
o! ii 1
1.160792
'(erimenam(el
7 1 0.04809 0.051 0.90091 0.49948
1.832635 2 0.06068 0.05843 0.88089 0.19789
2.005586 3 0.03526 0.0422 0.92254 0.61679
2.081146 4 0.03764 0.03709 0.92527 0.64611
2.191581 5 0.02904 0.00903 0.96193 0.78434
2.505015 6 0.04102 0.02289 0.93609 0.70935
1.643613 7 0.0136 0 0.9864 0.82417
1.597989 4-1$2-0$5 0.001397 0.321742 0.676861 0.776516
2.967927am(el 1a 2a 3a 1b
1 0.085297 0.120269 0.794434 0.588763
7 2 0.105291 0.134798 0.759911 0.288656
3.496251 3 0.064107 0.102009 0.833883 0.695524
3.620229 4 0.068817 0.090158 0.841025 0.723991
3.662257 5 0.055924 0.02312 0.920956 0.847574
3.683934 6 0.07641 0.05669 0.8669 0.781412
3.861903 7 0.026984 0 0.973016 0.904106
3.338931 4-1$2-0$5 0.001825 0.558684 0.439491 0.727565
3.3259113.411214
7 am(el 1 2 3
1.429595 1 0.000333 0.016662 0.011057
1.436064 2 0.037586 0.00491 0.005233
1.436729 3 0.051853 0.123657 0.00333
1a 2a 3a 1*
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1.434097 4 0.023479 0.13121 0.002053
1.417981 5 0.006394 4.67-005 0.014886
1.416784 6 0.004097 0.038793 0.000167
1.415167 7 0.086281 0.002509
0.748518 4-1$2-0$5
0.564537
am(el K1 K2 K3
0.5 0.05 0.45 1 0.098053 0.372974 2.631331 0.048327
0.25 0.05 0.7 2 0.252595 0.510123 1.36193 0.051925
0.1 0.05 0.85 3 0.071786 0.310878 3.396983 0.043592
0.4 0.1 0.5 4 0.067903 0.305372 3.594543 0.043372
0.2 0.1 0.7 5 0.034179 0.223663 4.865113 0.026858
6 0.054242 0.290134 4.091308 0.038445
7 0.022136 +/0 5.335861 0.019329
4-1$2-0$5 1.008657 1.027621 4.384748 0.290452
am(el 1 2 3
1 -0.675145 -0.895412 -0.562556
2 -0.284869 -0.810559 -0.481028
3 -0.995299 -0.971352 0.154464
4 -0.69591 -0.937021 -0.587509
5 -0.024922 -0.95592 -0.833598
6 0.236788 -0.907009 -0.842364
7 0.112279 +/0 -0.854685
4-1$2-0$5 -0.714513 -0.746423 -0.897039+/0
1a calc
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A12 A21
-56.95059 -269.5459
10
8.314 ?/mol.K
313.15K
A32 o!12 o!21 o!13 o!31 o!23 o!32
-7.364078 1.013103 1.553035 0.466788 0.533001 0.908585 0.850914
1 2 3
-0.8348 -2.0288 -2.32
1a 2a 3a 1b 2b 3b
0.12018 0.38034 0.125173 0.170104 0.704723 0.650549 0.200578 0.148873
0.10679 0.69532 0.151593 0.18705 0.661357 0.363973 0.25169 0.384337
0.0955 0.28771 0.096186 0.147513 0.756301 0.747054 0.148221 0.104725
0.08455 0.26934 0.103624 0.130846 0.76553 0.773416 0.129691 0.096892
0.04065 0.17501 0.088081 0.035097 0.876822 0.882248 0.058592 0.05916
0.06479 0.22586 0.116643 0.083406 0.79995 0.824586 0.09651 0.078904
0 0.17583 0.043865 0 0.956135 0.939748 0 0.060252
0.215835 0.007649 0.002264 0.668105 0.329631 0.735763 0.262059 0.002178
2b 3b ln 1a ln 2a ln 3a ln 1* ln 2* ln 3*
0.188347 0.22289 2.169051 0.689748 0.069612 -0.153198 -0.296499 1.037102
0.207105 0.504239 1.919454 0.552351 0.09563 0.543487 -0.120751 0.404533
0.14318 0.161297 2.476757 0.861213 0.04471 -0.15731 -0.307143 1.267597
0.125963 0.150046 2.549541 0.862236 0.045242 -0.140134 -0.323989 1.324659
0.058403 0.094022 3.298296 1.152974 0.020929 -0.077835 -0.34464 1.603019
0.094892 0.123696 2.80038 0.9002 0.041606 -0.113914 -0.337211 1.45047
0 0.095894 3.814027 +/0 0.006446 0.003457 +/0 1.680896
0.268872 0.003563 -0.56224 0.256876 0.123536 -0.553619 0.284123 1.601668
8.749974 1.993214 1.072093 0.85796 0.743416 2.821031
6.817234 1.737333 1.100352 1.722001 0.886254 1.498602
11.9026 2.366029 1.045724 0.854439 0.735546 3.552307
2* 3*
1a 2a 3a 1* 2* 3*
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12.80123 2.368451 1.046281 0.869242 0.723258 3.760903
27.06648 3.167599 1.02115 0.925117 0.708475 4.96801
16.4509 2.460094 1.042483 0.892334 0.713758 4.26512
45.33265 +/0 1.006467 1.003463 +/0 5.370368
0.569931 1.292885 1.131491 0.574865 1.328596 4.961303
0.04907 0.902602 0.492871 0.131565 0.375564 0.04809 0.051 0.90091
0.051934 0.896141 0.205565 0.101807 0.692628 0.06068 0.05843 0.88089
0.035368 0.921041 0.607245 0.113768 0.278988 0.03526 0.0422 0.92254
0.029853 0.926775 0.63873 0.097761 0.263509 0.03764 0.03709 0.92527
0.008517 0.964625 0.785782 0.03808 0.176138 0.02904 0.00903 0.96193
0.019279 0.942276 0.708762 0.06645 0.224789 0.04102 0.02289 0.93609
0 0.980671 0.873198 0 0.126802 0.0136 0 0.9864
0.267779 1.979537 0.287959 0.260582 0.45146
am(el
1 0.000203
2 0.000442
3 0.000619
4 0.00035
5 2.22-005
6 6.22-005
7 0.004873
4-1$2-0$5 2.221088 0.001699
RM+ 0.006361
2a calc 3a calc 1* calc 2* calc 3* calc
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A13 A31 A23 A32 *1 *2 *3 *4
188.3234 647.9811 72.43878 -7.364078 0.655177 0.326463 0.090872 0.733904
r1 0.92 >1 1.4r2 3.9228 >2 3.744
r3 3.0613 >3 2.816
am(el 1 2 3 4 5
1 0.956621 -5.400404 -0.8348 -5.814131 -1.022505
2 0.915582 -5.131724 -0.8348 -5.528241 -0.926357
3 1.00353 -5.712572 -0.8348 -6.152341 -1.140417
4 1.012704 -5.763272 -0.8348 -6.203406 -1.182482
5 1.109584 -6.396096 -0.8348 -6.89799 -1.520872
6 1.045059 -5.955872 -0.8348 -6.404884 -1.316736
7 1.171058 -6.841112 -0.8348 -7.417786 -1.706116
4-1$2-0$5 0.482729 -3.03751 -0.8348 -3.604352 0.277926
am(el 1 2 3 4 5
1 1.204587 -6.489855 -2.0288 -7.450323 -0.467227
2 1.163548 -6.132633 -2.0288 -7.083978 -0.444355
3 1.251496 -6.904898 -2.0288 -7.88371 -0.493443
4 1.26067 -6.972305 -2.0288 -7.949146 -0.49773
5 1.35755 -7.813673 -2.0288 -8.839197 -0.549771
6 1.293025 -7.228375 -2.0288 -8.207323 -0.513835
7 +/0 +/0 -2.0288 +/0 -0.5852384-1$2-0$5 0.730695 -3.348281 -2.0288 -4.618676 -0.261587
am(el 1 2 3 4 5
1 -0.245601 0.838773 -2.32 -1.747297 -0.081387
2 -0.286639 0.972349 -2.32 -1.66138 -0.09929
3 -0.198691 0.683575 -2.32 -1.848938 -0.062276
ln 1a
ln 2a
ln 3a
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4 -0.189517 0.658369 -2.32 -1.864284 -0.064367
5 -0.092637 0.343755 -2.32 -2.073025 -0.045435
6 -0.157162 0.562617 -2.32 -1.924834 -0.065818
7 -0.031163 0.122512 -2.32 -2.229237 -0.02029
4-1$2-0$5 -0.719492 2.013507 -2.32 -1.083201 -0.077227
*ea
0.49948 0.12018 0.38034 0.625071
0.19789 0.10679 0.69532 0.036224
0.61679 0.0955 0.28771 1.068467
0.64611 0.08455 0.26934 0.703325
0.78434 0.04065 0.17501 0.442445
0.70935 0.06479 0.22586 0.348733
0.82417 0 0.17583 0.437067
0
A=
0 0.02663
0 0.045853
0 0.053198
0 0.040895
0 0.010531
0
0
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*5 *6 *7
0.447028 0.84784 0.65726
ln 1*
6 7 am(el 1 2 3 4
2.816 2.205002 1 0.264249 -1.405066 -0.8348 -2.009912
2.816 2.300202 2 0.609368 -3.264371 -0.8348 -3.669336
2.816 2.088159 3 0.191609 -1.006331 -0.8348 -1.666769
2.816 2.066979 4 0.179848 -0.929818 -0.8348 -1.598971
2.816 1.815253 5 0.11763 -0.56453 -0.8348 -1.285972
2.816 1.991628 6 0.150533 -0.757206 -0.8348 -1.450284
2.816 1.621021 7 0.131235 -0.544407 -0.8348 -1.249633
2.816 3.315085 4-1$2-0$5 -0.05391 -0.157764 -0.8348 -1.045934
ln 2*
6 7 am(el 1 2 3 4
3.744 3.657733 1 0.512215 -1.177872 -2.0288 -2.575535
3.744 3.722097 2 0.857334 -3.649903 -2.0288 -4.701947
3.744 3.577739 3 0.439575 -0.647736 -2.0288 -2.135825
3.744 3.588205 4 0.427814 -0.546008 -2.0288 -2.048948
3.744 3.495071 5 0.365596 -0.060342 -2.0288 -1.647866
3.744 3.600809 6 0.398499 -0.316513 -2.0288 -1.858418
3.744 3.332706 7 +/0 +/0 -2.0288 +/03.744 3.721001 4-1$2-0$5 0.194056 0.480472 -2.0288 -1.340277
ln 3*
6 7 am(el 1 2 3 4
1.4 1.432243 1 -0.937973 2.825091 -2.32 -0.604031
1.4 1.43075 2 -0.592853 1.900721 -2.32 -1.102731
1.4 1.431388 3 -1.010612 3.023326 -2.32 -0.500907
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1.4 1.432262 4 -1.022374 3.061365 -2.32 -0.480532
1.4 1.428649 5 -1.084591 3.242971 -2.32 -0.386468
1.4 1.434501 6 -1.051689 3.14718 -2.32 -0.435848
1.4 1.414429 7 -1.070986 3.252975 -2.32 -0.375547
1.4 1.410907 4-1$2-0$5 -1.256131 3.445198 -2.32 -0.31433
;i
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5 6 7
0.000206 2.816 3.003287
-0.362998 2.816 2.815045
0.010843 2.816 2.979714
-0.001152 2.816 2.971488
-0.032883 2.816 2.930991
-0.014928 2.816 2.953652
-0.129018 2.816 2.943222
0.401152 2.816 2.967927
5 6 7
-0.096768 3.744 4.018344
-0.277315 3.744 4.022645
-0.056333 3.744 4.006339
-0.048548 3.744 4.018491
-0.010917 3.744 4.023877
-0.030836 3.744 4.02365
-0.009183 3.744 4.1799620.034668 3.744 3.411214
5 6 7
-0.563081 1.4 1.097127
-0.265672 1.4 1.351738
-0.678199 1.4 1.004222
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-0.709464 1.4 0.984329
-0.855615 1.4 0.877444
-0.77555 1.4 0.936419
-0.921109 1.4 0.877749
-0.766789 1.4 0.748518
1 0.5 0.05 0.45
1 0.2 0.1 0.7
1 0.05 0.03 0.965
1 0.4 0.1 0.5
1 0.2 0.1 0.7
1
1
1
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1. Menghitung nilai ia dan ib0.2 Trial :
R 1.987 cal/mol.K A12 A21 A13 A31
T 313.15K -1842.26 198.3113 3015.944 253.6398
Menghi!ng "i#$ "#i$ %i#$ &an %#i
'om( "i# "#i %i# %#i "ii 0
1 &an 2 -2.960742 0.318711 1.807868 0.938247 %ii 1
1 &an 3 4.847 0.407631 0.379311 0.921709
2 &an 3 3.613182 1.317795 0.485471 0.768312
'om( 1 +M,
'om( 2
'om( 3 )aer
am(el
1 0.0136 0 0.9864 0.82417 0 0.17583 4.816861
2 0.01438 0.00369 0.98193 0.53915 0.10221 0.35864 4.780816
3 0.00769 0.00583 0.98648 0.38901 0.1564 0.45459 4.789995
4 0.00823 0.00588 0.98589 0.26622 2.22-01 0.51226 4.787283
5 0.00769 0.00546 0.98685 0.22698 2.47-01 0.52636 4.793306
6 0.00646 0.00811 0.98543 0.19138 2.68-01 0.54054 4.774721
7 0 0.01528 0.98472 0 0.52551 0.47449 4.736668
8 0.00499 0.00874 0.98627 0.05709 0.44557 0.49735 4.775169
am(el 1 2 3
4$5$1 0 +/0 0.229232 123.5766 105.2524 1.000162
4$4$4 0.181085 6.316991 0.000397 119.2016 100.1122 1.000619
4-3-0$5 1.358423 3.640437 0.007761 120.3008 111.998 1.000468
4$3$1 0.736602 0.731142 0.005424 119.9749 110.7462 1.000504
4-4-0$5 0.558216 0.208725 0.004539 120.6997 112.3949 1.000438
4-2-1$5 0.564152 0.300072 0.004069 118.4772 112.3031 1.000574
4-2-0$5 +/0 0 0.004328 114.0536 119.2604 1.000453
4-1$2-0$5 1.371472 0.080308 0.001315 118.5304 114.952 1.000512
16.30469
Mencari calc!laion
am(el K1 K2 K3
4$5$1 0.014597 0.001072 9.055079 0.012059 0 0.987941 0.826157
4$4$4 0.040819 0.002924 2.683923 0.021594 0.000308 0.978098 0.529025
nilai
1a 2a 3a 1* 2* 3* ln 1a
1a 2a 3a
1a calc 2a calc 3a calc 1* calc
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4-3-0$5 0.063408 0.005531 1.987052 0.02396 0.000897 0.975144 0.377869
4$3$1 0.072928 0.011287 1.787947 0.018939 0.002538 0.978523 0.259696
4-4-0$5 0.071518 0.014018 1.752708 0.014704 0.00356 0.981736 0.205603
4-2-1$5 0.071538 0.017493 1.710391 0.013554 0.004685 0.981761 0.189468
4-2-0$5 0.015495 0.027384 1.943187 0 0.014524 0.985476 0
4-1$2-0$5 0.027098 0.026042 1.912415 0.001452 0.010998 0.98755 0.053586
am(el 1 2 3
4$5$1 R R R
4$4$4
4-3-0$5
4$3$1
4-4-0$5
4-2-1$5
4-2-0$5
4-1$2-0$5
R
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A23 A32
2248.227 819.97024898
4.656361 0.0001624465 0.589928 -2.182284908 2.2034882805
4.606292 0.000618821 1.582202 -1.2284736926 0.9878984392
4.718481 0.0004681104 2.031825 -0.4789117502 0.6871203588
4.707241 0.0005042579 2.169001 0.2231709044 0.5815721541
4.722018 0.0004378207 2.155503 0.4545914906 0.561599704
4.721202 0.0005740138 2.13719 0.6752635264 0.5372958021
4.781309 0.0004527046 0.569462 1.1835003509 0.6647822199
4.744515 0.000511934 1.166878 1.0964580348 0.6488789321
1.803858 0.112783536 9.05655
4.865656 0.2927390467 2.685585
7.627992 0.6194571493 1.987983
8.749539 1.2500341918 1.788849
8.632231 1.5755296329 1.753475
8.475587 1.9645506186 1.711373
1.767316 3.2657856149 1.944067
3.211948 2.9935441945 1.913395
0 0.1738434545 0.012059 0 0.9879405272 0.826157
0.105424 0.365551736 0.021594 0.0003082698 0.9780976174 0.529025
ln 2a ln 3a ln 1* ln 2* ln 3*
1* 2* 3*
2* calc 3* calc
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0.16211 0.4600213574 0.02396 0.0008966255 0.9751436057 0.377869
0.224841 0.5154631336 0.018939 0.0025378692 0.9785230372 0.259696
0.253968 0.5404289486 0.014704 0.0035600808 0.9817355818 0.205603
0.267814 0.5427183173 0.013554 0.0046849445 0.9817609682 0.189468
0.530397 0.4745465098 0 0.0145242178 0.9854757822 0
0.422337 0.5232224768 0.001452 0.0109983597 0.9875495501 0.053632
am(el
4$5$1 1.26392-005 23.08613 44.767829182 45.743532346 45.79933
4$4$4 0.0002387859
4-3-0$5 0.0006037936
4$3$1 0.0002439191
4-4-0$5 0.000787311
4-2-1$5 0.000083986
4-2-0$5 2.50298-005
4-1$2-0$5 0.0012406969 0.0032361614
RM+ 0.0082109701
0.0073254921
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am(le am(le
4$5$1 0.401623 -0.005919 0 4.421157 4$5$1
4$4$4 0.400946 -0.006247 -0.018237 4.404355 4$4$4
4-3-0$5 0.403705 -0.003366 -0.029487 4.419143 4-3-0$5
4$3$1 0.403462 -0.0036 -0.02968 4.417101 4$3$1
4-4-0$5 0.403739 -0.003366 -0.027623 4.420556 4-4-0$5
4-2-1$5 0.404042 -0.00283 -0.04114 4.414649 4-2-1$5
4-2-0$5 0.406248 0 -0.078985 4.409405 4-2-0$5
4-1$2-0$5 0.404635 -0.002189 -0.044557 4.417281 4-1$2-0$5
am(le am(le
4$5$1 1.18335 -0.002209 0 3.47522 4$5$1
4$4$4 1.16974 -0.002316 -0.005505 3.444373 4$4$4
4-3-0$5 1.231426 -0.001281 -0.009232 3.497567 4-3-0$5
4$3$1 1.226038 -0.001367 -0.009263 3.491833 4$3$1
4-4-0$5 1.232044 -0.001282 -0.008651 3.499907 4-4-0$5
4-2-1$5 1.239722 -0.00108 -0.012941 3.495502 4-2-1$5
4-2-0$5 1.291707 0 -0.025571 3.515173 4-2-0$5
4-1$2-0$5 1.253174 -0.00084 -0.014123 3.506305 4-1$2-0$5
am(le am(le
4$5$1 0.025217 3.13-005 0 -0.025086 4$5$1
4$4$4 0.033271 3.69-005 0.000338 -0.033027 4$4$4
4-3-0$5 0.024555 1.15-005 0.000314 -0.024413 4-3-0$5
4$3$1 0.025654 1.31-005 0.000337 -0.025499 4$3$1
4-4-0$5 0.023897 1.14-005 0.000292 -0.023763 4-4-0$5
4-2-1$5 0.026318 8.87-006 0.000396 -0.026148 4-2-1$5
4-2-0$5 0.027015 0 0.000251 -0.026813 4-2-0$5
4-1$2-0$5 0.024693 5.71-006 0.000354 -0.02454 4-1$2-0$5
*ea ;i
0 0.173843 0.400568 1
0.105424 0.365552 0.528152 2
ln 1a
ln 2a
ln 3a
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0.16211 0.460021 0.365401 3
0.224841 0.515463 0.334158 4
0.253968 0.540429 0.817344 5
0.267814 0.542718 0.446852 6
0.527788 0.472212 0.072396 7
0.422698 0.52367 0.061359 8
50.5617 1.26-005
0.000239
0.000604
0.000244
0.000787
8.40-005
1.15-005
0.001247
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ln 1*
0.066984 -0.055977 0 0.5789203379
0.171198 -0.095589 -0.077674 1.5842657843
0.227876 -0.092847 -0.196527 2.0933227039
0.273412 -0.076924 -0.404573 2.3770868826
0.287763 -0.069223 -0.505451 2.4424144642
0.300973 -0.061204 -0.610181 2.5076016548
0.360509 0 -1.939119 2.1480718018
0.342884 -0.020968 -1.425134 2.2700965853
ln 2*
-2.605069 0.380306 0 0.0424788116
-1.865296 0.148903 0.140966 0.3469533677
-1.341636 0.06691 0.173566 0.6222483023
-0.82664 0.023041 0.167025 0.8597451036
-0.642548 0.013459 0.14932 0.9343602612
-0.463492 0.006521 0.120704 1.0115305184
0.539747 0 -0.318676 0.9624289288
0.212669 -0.002672 -0.101793 0.9882539791
ln 3*
3.102186 0.218021 0 -1.1167190698
1.910231 0.078907 0.116783 -1.118022249
1.459344 0.039116 0.167025 -0.9783653157
1.218162 0.018804 0.210349 -0.8657430322
1.160843 0.014095 0.22116 -0.8344981413 26.13236
1.106022 0.010417 0.225204 -0.8043468233
1.263407 0 0.223012 -0.8216364053
1.205648 0.001907 0.256795 -0.8154714963
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0.24855 0.103203 0.648247 1
0.179245 0.150557 0.670198 1
0.049573 0.049299 0.901128 1
0.11086 0.150234 0.738905 1
0 0.49305 0.50695 1
0.050388 0.397098 0.552515 1
0.075 0.8 69
0.05 0.8
0.05 0.7
0.05 0.625
0.025 0.775
0.025 0.675
0 0.5
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1. Menghitung nilai ia dan ib0.2 Trial :
R 1.987 cal/mol.K A12 A21
T 303.15 K 563.4353 -3360.88
0 0
Menghi!ng "i#$ "#i$ %i#$ &an %#i
'om( "i# "#i %i# %#i
1 &an 2 -3.058408 0.329224 1.843529 0.936276
1 &an 3 5.006888 0.421077 0.367373 0.919233
2 &an 3 3.73237 1.361265 0.474035 0.761662
'om( 1 )aer
'om( 2 er-*!anol
'om( 3 +M,
am(el
1 0 0.54275 0.45725 0 0.01264
2 0.19687 0.30386 0.49927 0.00869 0.00959
3 0.2311 0.28316 0.48574 0.00507 0.00852
4 0.28272 0.24331 0.47397 0.00914 2.26-04
5 0.40408 0.18707 0.40885 0.01218 4.58-04
6 0.56731 0.1389 0.29379 0.01069 4.68-04
7 0.85412 0 0.14588 0.01408 0
4-1$2-0$5 0.07267 0.43693 0.4904 0.00487 0.01326
am(el 1 2 3
1 +/0 0.004077 0.002188 1.612542
2 0.036357 0.722222 0.000406 7.161001
3 0.78642 1.200643 0.000551 7.319074
4 0.255637 4.44055 0.001731 7.814267
5 0.152165 0.266146 0.000536 6.39284
6 0.075046 0.367164 0.018714 3.580816
7 0.14918 +/0 0.449761 1.602105
4-1$2-0$5 0.791364 0.106657 0.000159 3.625641
9.827675
Mencari calc!laion
am(el K1 K2 K3
1 83.78009 45.77012 0.485283 0 0.542767
2 18.72194 74.11978 0.518919 0.195314 0.305241
nilai
1a 2a 3a 1* 2*
1a
1a calc 2a calc
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3 18.77839 99.4181 0.504132 0.21195 0.299695
4 18.65644 130.9607 0.498777 0.282061 0.243707
5 22.45996 243.9994 0.423783 0.401465 0.19007
6 40.35243 543.8981 0.259119 0.582716 0.114739
7 89.26015 1219.782 0.075666 0.854171 0
4-1$2-0$5 36.32192 45.67746 0.505789 0.07285 0.445151
am(el 1 2 3
4$5$1 R R R
4$4$4
4-3-0$5
4$3$1
4-4-0$5
4-2-1$5
4-2-0$5
4-1$2-0$5
R
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A13 A31 A23 A32
2768.516 -366.9784 -2256.396 2242.8673164
0 0 0 0
"ii 0
%ii 1
0.98736 0.477812 1.141535 0.7233360629 4.906007 4.965166 0.000312
0.98172 1.96865 0.506665 0.6569217881 4.898346 4.812347 0.000914
0.98641 1.990484 0.299583 0.6854308907 4.92319 4.898918 0.000513
0.99064 2.055951 0.020322 0.6956840246 4.982142 4.895219 8.80-005
0.98736 1.855179 -0.668286 0.8587054392 4.966913 4.82888 0.000172
0.98884 1.275591 -1.438668 1.350605007 4.973242 4.860094 0.000138
0.98592 0.471318 -2.312829 2.581602737 4.962873 4.793599 0.00017
0.98187 1.288031 1.034471 0.6825215782 4.880452 4.856076 0.000885
3.131571 2.061298 135.0989 143.33240713 1.000312
1.659746 1.928846 134.0679 123.02000445 1.000914
1.349297 1.984627 137.4404 134.14450602 1.000513
1.020529 2.00508 145.7864 133.64924893 1.000088
0.512586 2.360103 143.583 125.0707688 1.000172
0.237244 3.85976 144.4946 129.03637103 1.000138
0.098981 13.21831 143.0041 120.73508427 1.00017
2.813617 1.978861 131.6902 128.5189079 1.000886
0.457233 0 0.011859 0.9881414494 0 0.542767 0.457233 0
0.499444 0.010432 0.004118 0.9854494153 0.195314 0.305241 0.499444 0.010432
3* ln 1a ln 2a ln 3a ln 1* ln 2* ln 3*
2a 3a 1* 2* 3*
3a calc 1* calc 2* calc 3* calc
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0.488356 0.011287 0.003014 0.9856986248 0.21195 0.299695 0.488356 0.011287
0.474232 0.015119 0.001861 0.9830203657 0.282061 0.243707 0.474232 0.015119
0.408464 0.017875 0.000779 0.981346309 0.401465 0.19007 0.408464 0.017875
0.302545 0.014441 0.000211 0.9853483762 0.582716 0.114739 0.302545 0.014441
0.145829 0.009569 0 0.9904305482 0.854171 0 0.145829 0.009569
0.481999 0.002006 0.009746 0.9882488039 0.07285 0.445151 0.481999 0.002006
am(el
1 1.22193-006 3.76-005 -3.6-005
2 0.000051244 0.000757 -0.000705
3 0.0007164461 0.002382 -0.001665
4 9.71372-005 0.000152 -5.5-005
5 8.46846-005 0.000609 -0.000524
6 0.0009240417 0.000749 0.000175
7 4.06952-005 3.24-007 4.04-005
4-1$2-0$5 0.0001994276 0.291196 -0.290996 0.0019154707 0.004686
RM+ 0.0067532544 0.010563
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am(le am(le
4$5$1 0.370806 0 -2.047713 2.154719 4$5$1
4$4$4 0.305127 -0.063883 -0.677282 2.404688 4$4$4
4-3-0$5 0.292023 -0.071587 -0.569376 2.339423 4-3-0$5
4$3$1 0.273149 -0.081614 -0.420739 2.285156 4$3$1
4-4-0$5 0.226077 -0.095652 -0.220734 1.945488 4-4-0$5
4-2-1$5 0.161804 -0.094884 -0.092676 1.301347 4-2-1$5
4-2-0$5 0.057139 -0.049385 0 0.463565 4-2-0$5
4-1$2-0$5 0.347971 -0.027116 -1.370071 2.337247 4-1$2-0$5
am(le am(le
4$5$1 0.532073 0 -0.324103 0.933565 4$5$1
4$4$4 -0.565722 0.009301 0.164173 0.898913 4$4$4
4-3-0$5 -0.740733 0.016812 0.194359 0.829146 4-3-0$5
4$3$1 -0.979662 0.030888 0.21178 0.757316 4$3$1
4-4-0$5 -1.491388 0.080454 0.224378 0.51827 4-4-0$5
4-2-1$5 -2.054662 0.180994 0.202619 0.232382 4-2-1$5
4-2-0$5 -2.767091 0.433533 0 0.020729 4-2-0$5
4-1$2-0$5 0.104536 -0.002693 -0.048363 0.980991 4-1$2-0$5
am(le am(le
4$5$1 1.343919 0 0.23943 -0.860012 4$5$1
4$4$4 1.257252 0.011718 0.265086 -0.877134 4$4$4
4-3-0$5 1.313824 0.015544 0.261448 -0.905385 4-3-0$5
4$3$1 1.371257 0.022165 0.239887 -0.937625 4$3$1
4-4-0$5 1.662974 0.044812 0.203446 -1.052527 4-4-0$5
4-2-1$5 2.269632 0.095126 0.159683 -1.173836 4-2-1$5
4-2-0$5 3.417879 0.248437 0 -1.084714 4-2-0$5
4-1$2-0$5 1.251997 0.002695 0.275613 -0.847784 4-1$2-0$5
*ea
0.011859 0.988141 0.906355
0.004118 0.985449 0.484459
ln 1a
ln 2a
ln 3a
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0.003014 0.985699 0.496224
0.001861 0.98302 0.614837
0.000779 0.981346 0.735485
0.000211 0.985348 0.433916
0 0.990431 0.580731
0.009746 0.988249 0.682932
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ln 1*
0.419895 0 -0.068053 4.554165
0.416204 -0.003931 -0.050055 4.536128
0.41796 -0.002304 -0.045123 4.552657
0.416873 -0.004142 -0.001185 4.570596
0.415461 -0.005499 -0.002373 4.559323
0.416141 -0.004835 -0.00244 4.564376
0.414636 -0.006343 0 4.554581
0.417608 -0.002211 -0.070043 4.535098
ln 2*
1.338763 0 -0.02213 3.648533
1.252829 -0.001514 -0.015536 3.576568
1.292481 -0.000902 -0.014317 3.621655
1.264353 -0.001605 -0.00037 3.632842
1.2324 -0.002104 -0.000728 3.599312
1.247812 -0.001862 -0.000755 3.614899
1.213599 -0.002409 0 3.582409
1.2863 -0.000863 -0.022148 3.592788
ln 3*
0.022513 0 0.000176 -0.022378
0.033303 1.57-005 0.000637 -0.033042
0.024589 5.85-006 0.000361 -0.024443
0.017314 1.42-005 1.34-005 -0.017253
0.0234 2.53-005 3.61-005 -0.023289
0.020636 1.95-005 3.26-005 -0.02055
0.026131 3.36-005 0 -0.025995
0.032748 6.27-006 0.000612 -0.032481
;i
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3 0.11086 0.150234 0.738905 1
4 0.179245 0.150557 0.670198 1
5 0.3 0.14 0.56 1
4-2-1$5 0.261024 0.049907 0.689069 1
4-2-0$5 0.500056 0 0.499944 1
4-1$2-0$5 0.050388 0.307098 0.642515 1
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'om( 1 )aer
'om( 2 Ter =!anol
'om( 3 +M,
r1 3.0613 >1 2.816 < 10
r2 3.4686 >2 3.124 R 8.314 ?/mol.K
r3 0.92 >3 1.4 T 303.15 K
Trial
A12 A21 A13 A31 A23 A32 o!12
57.56097 80.26215 246.4279 229.9895 130.4077 176.50518658 0.827062
o! ii 1 1
-0.8348
'(erimenam(el 1a
1 0.0136 0.0001 0.9863 0.82417 0.0001 0.17573 0.043854
2 0.01438 0.00369 0.98193 0.53915 0.10221 0.35864 0.045846
3 0.00769 0.00583 0.98648 0.38901 0.1564 0.45459 0.024746
4 0.008503 0.006879 0.984618 0.26622 2.22-01 0.51226 0.027235
5 0.008125 0.007886 0.983989 0.22698 2.47-01 0.52636 0.025977
6 0.00646 0.00811 0.98543 0.19138 2.68-01 0.54054 0.020719
7 0.0001 0.0153 0.9846 0.0001 0.52541 0.47449 0.000319
8 0.00443 0.013246 0.982323 0.05709 0.44557 0.49735 0.01408
am(el 1a 2a 3a 1b 2b 3b ln 1a
1 0.026981 0.00022 0.972799 0.904045 0.0001216891 0.095833 4.318547
2 0.028383 0.00808 0.963538 0.648921 0.1364753386 0.214603 4.242174
3 0.01524 0.012818 0.971943 0.493342 0.2200404476 0.286617 4.352997
4 0.016816 0.015093 0.968091 0.347249 0.3205613802 0.33219 4.31754
5 0.016055 0.017288 0.966657 0.297756 0.3589627784 0.343282 4.309183
6 0.012783 0.017803 0.969415 0.252645 0.3925919173 0.354763 4.34212
7 0.000197 0.033506 0.966296 0.000122 0.7118029231 0.288075 4.363689
4-1$2-0$5 0.00873 0.028956 0.962314 0.071483 0.6189198324 0.309598 4.302093
am(el 1 2 3
1 0.034754 9.349679 0.000668 75.079466976 58.43133 1.00404
2 0.112399 0.004132 0.038844 69.558932297 53.18106 1.003655
3 0.015357 0.013966 0.026325 77.711037246 57.2989 1.00009
1a 2a 3a 1* 2* 3*
1a 2a 3a
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4 0.000185 0.002046 0.011159 75.003881957 55.14346 1.000231
5 1.70-005 0.000244 0.007655 74.37968504 54.30396 0.999878
6 0.018764 0.001754 0.005065 76.870323965 55.70897 0.999088
7 7.332277 0.000355 78.546388798 53.4424 0.99518
4-1$2-0$5 0.072714 5.16-005 73.854222529 51.65085 0.997389
17.04841
am(el K1 K2 K3
1 0.013695 0.046995 5.759526 0.01136 0 0.98864 0.829471
2 0.019074 0.038499 3.334392 0.01033 0.0039033673 0.985767 0.541573
3 0.022376 0.033121 2.552303 0.008658 0.0052891865 0.986052 0.38695
4 0.031508 0.032491 2.136262 0.008353 0.007231295 0.984416 0.265102
5 0.035648 0.032476 2.040357 0.008368 0.0076750566 0.983957 0.234726
6 0.03871 0.031547 1.95752 0.00752 0.0083515923 0.984129 0.194256
7 0.066682 rr:502 2.036359 0 0 1 0
4-1$2-0$5 0.059261 0.028546 1.989349 0.003245 0.0123547079 0.9844 0.054762
am(el 1 2 3 am(el
1 0.217171 -1 -0.869911 1
2 -0.514011 -0.90864 -0.672122 2
3 -0.345998 -0.733229 -0.673326 3
4 -0.495611 -0.577117 -0.618403 4
5 -0.939872 -0.940162 -0.242356 5
6 -0.763128 -0.676258 -0.517022 6
7 -1 rr:502 -0.736288 7
4-1$2-0$5 -0.637857 2.576474 -0.710019 4-1$2-0$5rr:502
RM+
1a calc 2a calc 3a calc 1* calc
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A12 A21 A13 A31
-190.5125 -269.1624 142.3913 628.714808846
o!21 o!13 o!31 o!23 o!32
0.7673896982 0.443574 0.468291 0.650395 0.558647
2 3
-0.7456 -2.32
2a 3a 1b 2b 3b
0.0003653556 0.955781 0.939659 0.000129 0.060212
0.0133297066 0.940824 0.70686 0.151833 0.141307
0.0212566046 0.953997 0.553487 0.252134 0.194379
0.0249668508 0.947798 0.39665 0.373979 0.229371
0.028568669 0.945455 0.341507 0.420493 0.238
0.0294712297 0.94981 0.291045 0.461912 0.247043
0.0553264736 0.944354 0.000135 0 0.193217
0.0476989745 0.938221 0.080249 0.709651 0.210099
ln 2a ln 3a ln 1* ln 2* ln 3*
4.0678522775 0.004032 0.027815 1.010128 1.754887
3.9737023178 0.003649 0.28276 0.716583 1.207939
4.0482813897 8.95-005 0.553238 0.640703 0.937086
4.0099381033 0.000231 0.860019 0.583142 0.759288
3.994597179 -0.000122 0.975134 0.567342 0.713002
4.0201412251 -0.000913 1.09047 0.56387 0.670766
3.9786043604 -0.004832 1.655872 rr:502 0.706332
3.944506656 -0.002615 1.476283 0.388276 0.685193
1.0282058057 2.745952 5.782794
1.3267866791 2.047425 3.346581
1.7388740638 1.897814 2.552531
1* 2* 3*
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2.3632055119 1.791659 2.136755
2.6515213094 1.763573 2.040107
2.9756722519 1.75746 1.955734
5.2376433649 rr:502 2.026544
4.3766453002 1.474437 1.984154
0 0.170529 0.70933 0.07013 0.22053 0.0293 0.01378
0.1013884532 0.357038 0.68419 0.07942 0.23639 0.04432 0.0245
0.1596913769 0.453359 0.65157 0.09459 0.25384 0.05039 0.0309
0.2225639155 0.512335 0.53548 0.1121 0.35242 0.0538 0.0461
0.2363304582 0.528944 0.32513 0.13597 0.5389 0.09857 0.07504
0.2647335578 0.54101 0.77563 0.05173 0.17264 0.01408 0.005
0 1 0.85481 0 0.14519 0.01408 0
0.4327965592 0.512442
6.566595-005 2.3176114021
4.027694-005 1.5889079852
1.800658-005 1.3050422904
2.512660-006 0.9147680042
0.0001734765 0.4509623047
2.250133-005 1.5487284367
0.5526876982 1.9731841756
0.00040285410.0007252941
0.0041555874
0.0064556788
2* calc 3* calc
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A23 A32 *1 *2 *3 *4 *5 *6
137.3623 -95.68495 0.655177 0.326463 0.090872 0.733904 0.447028 0.84784
r1 0.92 >1 1.4r2 3.9228 >2 3.744
r3 3.0613 >3 2.816
am(el 1 2 3 4 5 6 7
1 1.170789 -6.839042 -0.8348 -7.415287 -2.051046 2.816 1.460734
2 1.159457 -6.751648 -0.8348 -7.310017 -2.033042 2.816 1.489893
3 1.168739 -6.825145 -0.8348 -7.399316 -2.065521 2.816 1.436634
4 1.164109 -6.789253 -0.8348 -7.355975 -2.05663 2.816 1.451122
5 1.162273 -6.775263 -0.8348 -7.339205 -2.05516 2.816 1.453391
6 1.165405 -6.799877 -0.8348 -7.369034 -2.064439 2.816 1.438082
7 1.160487 -6.76413 -0.8348 -7.326901 -2.076157 2.816 1.416926
4-1$2-0$5 1.156286 -6.730528 -0.8348 -7.28602 -2.057526 2.816 1.448411
am(el 1 2 3 4 5 6 7
1 1.295701 -7.916872 -0.7456 -8.401877 -1.778135 3.124 1.869388
2 1.284369 -7.81992 -0.7456 -8.2826 -1.756983 3.124 1.90873
3 1.293651 -7.901455 -0.7456 -8.38378 -1.764869 3.124 1.870963
4 1.28902 -7.861637 -0.7456 -8.334673 -1.757034 3.124 1.887552
5 1.287184 -7.846117 -0.7456 -8.315672 -1.752847 3.124 1.893388
6 1.290317 -7.873423 -0.7456 -8.349469 -1.756413 3.124 1.881034
7 1.285399 -7.833766 -0.7456 -8.301731 -1.737 3.124 1.8901594-1$2-0$5 1.281198 -7.796489 -0.7456 -8.255411 -1.735464 3.124 1.909477
am(el 1 2 3 4 5 6 7
1 -0.031432 0.123541 -2.32 -2.228486 -0.021287 1.4 1.41785
2 -0.042764 0.166989 -2.32 -2.19685 -0.02631 1.4 1.423736
3 -0.033482 0.13045 -2.32 -2.223686 -0.018264 1.4 1.418828
ln 1a
ln 2a
ln 3a
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4 -0.038112 0.148294 -2.32 -2.210661 -0.020638 1.4 1.42125
5 -0.039949 0.155249 -2.32 -2.205621 -0.021127 1.4 1.422171
6 -0.036816 0.143012 -2.32 -2.214586 -0.018797 1.4 1.420491
7 -0.041734 0.160784 -2.32 -2.201924 -0.016652 1.4 1.422457
4-1$2-0$5 -0.045935 0.177489 -2.32 -2.189638 -0.021132 1.4 1.424938
*ea
0.95692 0.402653
0.93118 0.528099
0.91871 0.365855
0.9001 0.334399
0.82639 0.817963
0.98092 0.446597
0.98592 0.11
0.084908
A=
0.015283
0.012946
0.00852
0.002931
0.021145
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*7
0.65726
ln 1*
am(el 1 2 3 4 5 6
1 0.13114 -0.544016 -0.8348 -1.249335 -0.147359 2.816
2 0.270839 -1.204138 -0.8348 -1.780864 -0.443945 2.816
3 0.352633 -1.619702 -0.8348 -2.128532 -0.641005 2.816
4 0.398731 -1.872803 -0.8348 -2.347919 -0.8146 2.816
5 0.408506 -1.930298 -0.8348 -2.399106 -0.870931 2.816
6 0.419216 -1.992176 -0.8348 -2.454048 -0.924878 2.816
7 0.303796 -1.463908 -0.8348 -2.022524 -1.080832 2.816
4-1$2-0$5 0.340508 -1.628823 -0.8348 -2.155902 -1.039138 2.816
ln 2*
am(el 1 2 3 4 5 6
1 0.256052 -0.933328 -0.7456 -1.415557 -0.691796 3.124
2 0.39575 -1.665651 -0.7456 -2.017804 -0.724316 3.124
3 0.477545 -2.126667 -0.7456 -2.411729 -0.743591 3.124
4 0.523642 -2.407451 -0.7456 -2.660305 -0.723238 3.124
5 0.533417 -2.471234 -0.7456 -2.718303 -0.708844 3.124
6 0.544127 -2.53988 -0.7456 -2.780554 -0.698146 3.124
7 rr:502 +/0 -0.7456 0 -0.424887 3.1244-1$2-0$5 0.465419 -2.136786 -0.7456 -2.442741 -0.50405 3.124
ln 3*
am(el 1 2 3 4 5 6
1 -1.071081 3.25317 -2.32 -0.375458 -0.979048 1.4
2 -0.931382 2.924984 -2.32 -0.535196 -0.735816 1.4
3 -0.849588 2.718383 -2.32 -0.639679 -0.606192 1.4
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4 -0.803491 2.592552 -2.32 -0.705611 -0.509962 1.4
5 -0.793715 2.563967 -2.32 -0.720994 -0.481804 1.4
6 -0.783006 2.533204 -2.32 -0.737505 -0.455694 1.4
7 -0.898425 2.795837 -2.32 -0.607821 -0.400736 1.4
4-1$2-0$5 -0.861713 2.713848 -2.32 -0.647904 -0.414286 1.4
;i
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'om( 1 )aer
'om( 2 Ter =!anol
'om( 3 +M,
r1 3.0613 >1 2.816 2 3.124 R
r3 0.92 >3 1.4 T
Trial
A12 A21 A13 A31 A23
-56.95059 -269.5459 188.3234 647.9811 72.43878
o! ii 1
28.54876
'(erimenam(el
7 1 0.00001 0.54274 0.45725 0.00001
2.937202 2 0.19687 0.30386 0.49927 0.009282
2.98995 3 0.2311 0.28316 0.48574 0.008152
2.93043 4 0.28272 0.24331 0.47397 0.007757
2.809628 5 0.40408 0.18707 0.40885 0.012045
2.754312 6 0.56731 0.1389 0.29379 0.00673
2.696696 7 0.85412 0.00001 0.14587 0.01408
2.268573 4-1$2-0$5 0.07267 0.43693 0.4904 0.003852
2.411643am(el 1a 2a 3a 1b
1 1.21-005 0.725916 0.274072 1.98-005
7 2 0.251694 0.430967 0.317339 0.018314
2.798348 3 0.293751 0.399291 0.306958 0.016124
3.134037 4 0.358654 0.342419 0.298927 0.015366
3.243895 5 0.49588 0.254678 0.249442 0.023772
3.294993 6 0.653988 0.177636 0.168377 0.013384
3.300388 7 0.921727 1.20-005 0.078261 0.027923
3.297477 4-1$2-0$5 0.090702 0.604995 0.304304 0.00761
3.2174743.265548
7 am(el 1 2 3
0.861708 1 7.438315 0.54955 0.002381
1.136674 2 0.016427 0.651608 0.002142
1.25758 3 0.00034 0.706572 0.003135
1a 2a 3a 1*
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1.325345 4 0.012589 0.701471 0.006275
1.340047 5 0.027023 0.577966 0.013371
1.352632 6 0.125625 0.632327 0.006001
1.279638 7 0.009238 0.01697
1.309133 4-1$2-0$5 0.000979 4.21-005
11.50035
am(el K1 K2 K3
0.5 0.05 0.45 1 15.29196 20.4757 0.48626 0
0.25 0.05 0.7 2 24.11077 16.65421 0.485143 0.198616
0.1 0.05 0.85 3 27.83098 17.3238 0.466382 0.216436
0.4 0.1 0.5 4 32.57808 17.16234 0.444042 0.285403
0.2 0.1 0.7 5 39.54115 15.37723 0.370779 0.403374
6 59.13507 16.37022 0.274792 0.584663
7 66.78188 rr:502 0.16854 0.853356
4-1$2-0$5 19.46487 37.11318 0.494878 0.071042
am(el 1 2 3
1 -1 -0.825453 -0.467415
2 -0.992291 -0.983533 0.022769
3 -0.992394 -0.983775 0.012193
4 -0.986336 -0.979095 -0.148044
5 -0.973054 -0.970712 -0.32899
6 -0.992262 -0.994831 0.164641
7 -0.982545 rr:502 -0.231483
4-1$2-0$5 -0.992433 -0.974553 -0.227967rr:502
1a calc
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A12 A21
-56.95059 -269.5459
10
8.314 ?/mol.K
313.15K
A32 o!12 o!21 o!13 o!31 o!23 o!32
-7.364078 0.832092 0.773905 0.455239 0.479775 0.659391 0.569131
1 2 3
-0.8348 -0.7456 -2.32
1a 2a 3a 1b 2b 3b
0.01263 0.98736 1.33-005 0.817345 0.182642 3.21-005 0.046007 0.953961
0.008139 0.982579 0.284823 0.498101 0.217076 0.029579 0.029389 0.941032
0.007052 0.984796 0.331131 0.459706 0.209163 0.02612 0.025603 0.948278
6.14-03 0.986107 0.4034 0.393358 0.203242 0.024938 0.022349 0.952714
5.69-03 0.982267 0.54686 0.286854 0.166286 0.038398 0.020545 0.941056
3.83-03 0.989439 0.697814 0.193584 0.108602 0.021822 0.014074 0.964104
0.00001 0.98591 0.951169 1.26-005 0.048819 0.045363 0 0.9546
0.011605 0.984543 0.101621 0.692288 0.206091 0.012311 0.042027 0.945661
2b 3b ln 1a ln 2a ln 3a ln 1* ln 2* ln 3*
0.027751 0.972229 1.586267 0.935612 0.716754 4.313594 3.95485 -0.004259
0.017816 0.96387 1.004562 1.072047 0.723732 4.18722 3.884709 0.00042
0.015475 0.968401 0.902722 1.076195 0.762821 4.228872 3.928277 7.04-005
0.013483 0.971151 0.768747 1.112645 0.811912 4.252386 3.955362 7.68-005
0.012453 0.963775 0.490905 1.155365 0.994257 4.168247 3.888253 0.002108
0.008451 0.978165 0.233307 1.229642 1.291974 4.313132 4.025106 0.000233
2.20-005 0.972055 0.015931 1.611948 1.784733 4.217363 rr:502 0.004151
0.025434 0.966956 1.373115 0.376842 0.700781 4.341726 3.990814 -0.002664
4.885476 2.548772 2.047775 74.70852 52.18789 0.99575
2.73071 2.921352 2.062115 65.83953 48.6528 1.00042
2.466307 2.933498 2.144318 68.63976 50.81934 1.00007
2* 3*
1a 2a 3a 1* 2* 3*
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A13 A31 A23 A32 *1 *2 *3 *4
188.3234 647.9811 72.43878 -7.364078 0.655177 0.326463 0.090872 0.733904
r1 0.92 >1 1.4r2 3.9228 >2 3.744
r3 3.0613 >3 2.816
am(el 1 2 3 4 5
1 0.284519 -1.372975 -0.8348 -1.947823 -1.0315
2 0.369324 -1.741064 -0.8348 -2.241331 -0.857546
3 0.359663 -1.686519 -0.8348 -2.193636 -0.809981
4 0.355473 -1.655404 -0.8348 -2.164591 -0.746734
5 0.30258 -1.377849 -0.8348 -1.928975 -0.584183
6 0.207046 -0.913278 -0.8348 -1.548309 -0.384909
7 0.10762 -0.442706 -0.8348 -1.170915 -0.117056
4-1$2-0$5 0.335318 -1.600452 -0.8348 -2.131374 -0.984723
am(el 1 2 3 4 5
1 0.409431 -1.852954 -0.7456 -2.206977 -0.392583
2 0.494235 -2.261303 -0.7456 -2.539536 -0.616126
3 0.484575 -2.200792 -0.7456 -2.485495 -0.625993
4 0.480384 -2.166273 -0.7456 -2.452586 -0.654513
5 0.427491 -1.858362 -0.7456 -2.185621 -0.661144
6 0.331958 -1.342978 -0.7456 -1.754308 -0.628958
7 0.232531 -0.820937 -0.7456 -1.326703 -0.6524584-1$2-0$5 0.460229 -2.105311 -0.7456 -2.414949 -0.507676
am(el 1 2 3 4 5
1 -0.917702 2.841046 -2.32 -0.585371 -0.397649
2 -0.832897 2.658047 -2.32 -0.673578 -0.467518
3 -0.842558 2.685164 -2.32 -0.659244 -0.49142
ln 1a
ln 2a
ln 3a
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4 -0.846749 2.700634 -2.32 -0.650516 -0.523577
5 -0.899641 2.838622 -2.32 -0.579707 -0.617997
6 -0.995175 3.069588 -2.32 -0.465307 -0.754846
7 -1.094602 3.303537 -2.32 -0.35189 -0.976369
4-1$2-0$5 -0.866903 2.727953 -2.32 -0.640533 -0.425294
*ea
0.49948 0.12018 0.38034 0.906307
0.19789 0.10679 0.69532 0.481999
0.61679 0.0955 0.28771 0.494028
0.64611 0.08455 0.26934 0.616263
0.78434 0.04065 0.17501 0.737077
0.70935 0.06479 0.22586 0.436931
0.82417 0 0.17583 0.579693
0.693521
A=
1.070465 0.030534
0.35224 0.04187
1.151401 0.048371
1.233661 0.032324
1.727576 0.017052
1.783431
2.72544
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*5 *6 *7
0.447028 0.84784 0.65726
ln 1*
6 7 am(el 1 2 3 4
2.816 2.285801 1 1.167809 -6.820452 -0.8348 -7.394688
2.816 2.703775 2 1.159018 -6.749911 -0.8348 -7.308611
2.816 2.755238 3 1.164434 -6.791866 -0.8348 -7.359166
2.816 2.823848 4 1.16777 -6.817661 -0.8348 -7.390283
2.816 2.928183 5 1.159361 -6.75166 -0.8348 -7.310341
2.816 2.974878 6 1.176283 -6.883666 -0.8348 -7.47017
2.816 2.918154 7 1.169949 -6.832407 -0.8348 -7.407216
2.816 2.459049 4-1$2-0$5 1.161929 -6.773994 -0.8348 -7.33825
ln 2*
6 7 am(el 1 2 3 4
3.744 3.218825 1 1.29272 -7.896249 -0.7456 -8.378537
3.744 3.314948 2 1.283929 -7.817992 -0.7456 -8.281008
3.744 3.317474 3 1.289346 -7.864537 -0.7456 -8.338289
3.744 3.306965 4 1.292682 -7.893153 -0.7456 -8.373546
3.744 3.258929 5 1.284273 -7.819933 -0.7456 -8.282968
3.744 3.141004 6 1.301194 -7.966377 -0.7456 -8.464062
3.744 2.777207 7 rr:502 +/0 -0.7456 03.124 3.279101 4-1$2-0$5 1.28684 -7.844709 -0.7456 -8.31459
ln 3*
6 7 am(el 1 2 3 4
1.4 1.26961 1 -0.034412 0.132783 -2.32 -2.222295
1.4 1.322513 2 -0.043204 0.167853 -2.32 -2.196427
1.4 1.310449 3 -0.037787 0.146994 -2.32 -2.21162
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1.4 1.296065 4 -0.034451 0.13417 -2.32 -2.220972
1.4 1.222428 5 -0.04286 0.166983 -2.32 -2.196947
1.4 1.082592 6 -0.025938 0.101355 -2.32 -2.24498
1.4 0.832462 7 -0.032272 0.126839 -2.32 -2.22606
1.4 1.306097 4-1$2-0$5 -0.040292 0.15588 -2.32 -2.205334
;i
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5 6 7
-2.020614 2.816 1.430265
-1.982809 2.816 1.494507
-1.993237 2.816 1.477299
-1.998844 2.816 1.46805
-1.975633 2.816 1.506628
-2.013263 2.816 1.444119
-1.984148 2.816 1.492742
-2.067184 2.816 1.432843
5 6 7
-1.695843 3.124 1.894401
-1.692995 3.124 1.933631
-1.701519 3.124 1.91474
-1.707219 3.124 1.903332
-1.697701 3.124 1.935156
-1.721765 3.124 1.873937
-1.720727 3.124 1.901949-1.745581 3.124 1.889887
5 6 7
-0.013311 1.4 1.418236
-0.022645 1.4 1.423302
-0.019816 1.4 1.420573
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-0.018267 1.4 1.418882
-0.024278 1.4 1.42324
-0.01431 1.4 1.414474
-0.02147 1.4 1.417946
-0.018498 1.4 1.422085
1 0.5 0.05 0.45
1 0.2 0.1 0.7
1 0.05 0.03 0.965
1 0.4 0.1 0.5
1 0.2 0.1 0.7
1
1
1