kinetics hw6

# kinetics hw6 - time CA 0 300 540 900 1320 1800 2400 3600...

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time CA dCa/dt lnCa ln(dCa/dt) rcalc 0 2 -0.0016 0.6931471806 -6.4377516497 -0.001718 300 1.6 -0.001134682 0.4700036292 -6.7814028435 -0.001033 540 1.35 -0.0008543493 0.3001045925 -7.0651704885 -0.000701 900 1.1 -0.000547162 0.0953101798 -7.5107656385 -0.00044 1320 0.87 -0.0003008868 -0.1392620673 -8.1087763267 -0.000258 1800 0.7 -0.000086272 -0.3566749439 -9.3580054621 -0.000157 2400 0.53 0.000190208 -0.6348782724 Err:502 -8.3E-005 3600 0.35 0.001054208 -1.0498221245 Err:502 -3.2E-005 SUM 0 500 1000 1500 2000 2500 3000 350 0 0.5 1 1.5 2 2.5 f(x) = - 4.22243170819731E-018x^5 + 5.74666040796937E-014x^4 - 3.05222015655691E-010x^3 + 8.61651100902762E-0 R² = 0.9999266891 Chart Title

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rdiff^2 parameters Integral method dCa/dt = ra 1.38115E-008 k 0.000354 assume n = 2, 2nd order 1.03635E-008 n 2.278942 graph 1/Ca vs t… slope should equal k 2.34281E-008 1.15377E-008 time CA 1/CA 1.86889E-009 0 2 0.5 0.000000005 300 1.6 0.625 7.47928E-008 540 1.35 0.740741 1.18060E-006 900 1.1 0.909091 1320 0.87 1.149425 1.32140E-006 1800 0.7 1.428571 2400 0.53 1.886792 3600 0.35 2.857143 00 4000 007x^2 - 0.0015766365x + 2.0002769896 0 500 1000 1500 2000 0 0.5 1 1.5 2 2.5 3 f(x) = 0.0006503451x + 0.3792519258 Chart Tit
a = -k*Ca^2 slope = k = 0.0007 2500 3000 3500 4000 tle

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calculated ra = -k*Ca^n = dCa/dt experimental (given) nonlinear regression time Ca 0 2 -0.0015280489 2 0 60 1.908317 -0.001423262 120 1.822921 -0.0013279589 180 1.743244 -0.0012410812 240 1.668779 -0.00116171 300 1.599076 -0.0010890449 1.6 8.531369316791E-007 360 1.533734 -0.0010223865 420 1.47239 -0.0009611215 480 1.414723 -0.000904711 540 1.360441 -0.0008526796 1.35 0.0001090043 600 1.30928 -0.0008046071 660 1.261003 -0.0007601211 720 1.215396 -0.0007188906 780 1.172263 -0.000680621 840 1.131425 -0.0006450492 900 1.092722 -0.0006119398 1.1 5.296354780222E-005 960 1.056006 -0.0005810817 1020 1.021141 -0.0005522855 1080 0.988004 -0.0005253805 1140 0.956481 -0.0005002128 1200 0.926468 -0.0004766435 1260 0.89787 -0.0004545467 1320 0.870597 -0.0004338085 0.87 3.563647877189E-007 1380 0.844568 -0.0004143253 1440 0.819709 -0.0003960029 1500 0.795949 -0.0003787555 1560 0.773223 -0.000362505 1620 0.751473 -0.0003471798 1680 0.730642 -0.0003327146 1740 0.710679 -0.0003190495 1800 0.691537 -0.0003061295 0.7 7.163080354450E-005 1860 0.673169 -0.0002939043 1920 0.655534 -0.0002823275 1980 0.638595 -0.0002713563 2040 0.622313 -0.0002609515 2100 0.606656 -0.0002510766 2160 0.591592 -0.0002416983 2220 0.57709 -0.0002327854 2280 0.563123 -0.0002243093 2340 0.549664 -0.0002162434 2400 0.53669 -0.000208563 0.53 4.475022521865E-005 2460 0.524176 -0.0002012452 2520 0.512101 -0.0001942688 2580 0.500445 -0.0001876139 2640 0.489188 -0.0001812621 2700 0.478312 -0.0001751963
2760 0.467801 -0.0001694005 2820 0.457637 -0.0001638596 2880 0.447805 -0.0001585598 2940 0.438291 -0.0001534881 3000 0.429082 -0.0001486321 3060 0.420164 -0.0001439805 3120 0.411525

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Unformatted text preview: -0.0001395227 3180 0.403154-0.0001352484 3240 0.395039-0.0001311485 3300 0.38717-0.0001272139 3360 0.379537-0.0001234364 3420 0.372131-0.0001198082 3480 0.364943-0.000116322 3540 0.357963-0.0001129708 3600 0.351185-0.0001097481 0.35 1.404485246877E-006 objectve functon ra = -k*Ca^n k= 0.000535 0.0002809628 n= 1.513897 run T(K) Ca-ra ln(-ra) ln(Ca) Ca^n-ra/Ca^n ln(-ra/Ca^n) 1 700 0.2 0.00125 -6.684612 -1.609438 0.200613 0.006231 -5.078231747 2 750 0.02 0.000324 -8.034767 -3.912023 0.020149 0.01608-4.13017688 3 800 0.05 0.00186 -6.287179 -2.995732 0.050285 0.036989 -3.297138409 4 850 0.08 0.00622 -5.079985 -2.525729 0.080385 0.077378 -2.559055612 5 900 0.1 0.0149 -4.206394 -2.302585 0.100438 0.14835 -1.908183885 6 950 0.06 0.0161 -4.128936 -2.813411 0.060322 0.266903 -1.320870771 7 1000 0.003 0.00136 -6.600271 -5.809143 0.003033 0.448357 -0.802164961 8 1000 0.02 0.00908 -4.701681 -3.912023 0.020149 0.450638 -0.797090925-6.7-6.6-6.5-6.4-6.3-6.2-6.1-6-5.9-5.8-5.7-5-4.5-4-3.5-3-2.5-2-1.5-1-0.5 f(x) = 0.9981425146x + 1.8863295863 R² = 1 Chart Title 1/T 0.001429 0.001333 0.00125 0.001176 0.001111 0.001053 0.001 0.001 ln(-ra) = n*ln(Ca) + ln(A) -E/RT ln(-ra/Ca^n) = ln(Aexp(-E/RT)) = ln(A) - E/RT plot ln(-ra/Ca^n) vs 1/T slope = n = 0.9981 n ~ 1-5.5-5-4.5-4-3.5-3-2.5-2-1.5 f(x) = - 0.0001001182x + 0.0009200397 Chart Title slope = -E/R E/R = 0.0001 intercept = ln(A) ln(A) = 0.0009-1-0.5 0.0002 0.0004 0.0006 0.0008 0.001 0.0012 0.0014 0.0016-ra = Fa/W W/Fa0-ra = Fa/W Ca Cb Cc-ra calculated dif^2 sumsqr 1 1 92 83 8 0.9659579587 0.0011588606 0.003956 2 0.5 86 72 14 0.4938285979 3.808620E-005 3 0.33333333 82 64 18 0.3468351849 0.0001823 4 0.25 79 58 21 0.2727376813 0.0005170022 5 0.2 77 53 23 0.2316070248 0.000999004 6 0.16666667 75 49 25 0.1992342666 0.0010606486 k1 0.011716664 k2 1.4614815 n 0.550207635 a H2SO4 b (C2H5)2SO c C2H5SO4H tme Ca Cb Cc dCc/dT ra = dCa/dT 5.5 5.5 0.0304 rc = 2*-ra = dCc/dT 41 1.18 0.030397 48 1.38 0.030396 55 1.63 0.030394 75 2.24 0.03039 96 2.75 0.030384 127 3.31 0.030377 146 3.76 0.030371 162 3.81 0.03037 180 4.11 0.030365 195 4.31 0.030362 212 4.45 0.030359 267 4.86 0.030351 318 5.15 0.030345 368 5.32 0.030342 379 5.35 0.030341 410 5.42 0.03034 inf 5.8 0.030331 50 100 150 1 2 3 4 5 6 f(x) = - 1.88836349024475E-012x R² = 0.9992371418 4 H 50 200 250 300 350 400 450 x^5 + 0.000000002x^4 - 6.58534600333942E-007x^3 + 2.46501924509919E-005x^2 + 0.0304130953x - 0.0225827608 Cc vs t...
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• Spring '14
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