a1 a2 a3 a4N2 7.709928 -5.503897 13.12136 -11.67955O2 7.361141 -5.369589 20.54179 -25.86526NO 8.462334 -10.40669 27.54876 -30.28119O 5.974134 -4.241883 7.931254 -7.94423N 4.966526 0.01150479 -0.03333487 0.04616989CH4 7.918404 -11.41722 63.73457 -75.25691CO2 4.324933 20.80895 -22.9459 16.84483H2O 7.98886 -1.506271 6.661376 -4.65597CO 7.812249 -6.668293 17.28296 -17.28709H2 6.183042 4.710657 -10.92135 12.54086Only Change B16!!!T initial (K) 298.15 0.29815 here we accountT final (K) 1621.777343825 1.6217773438 for units in To and Tfinalcal to kcal 0.001 following Prothero (1969)N2 10198.307062963 8.436866703 !8473.263129218 42698.2720112231O2 10773.681094299 62.340092704 !90328.09182176 4107.11772611NO 32120.927107812 63.432671708 !7072.7427264287 134483.8976112O 66211.99629898 47.0308747338 !10061.61080431 277216.386104477N 11940.772970396 4.028206898 461.0476900462 00493.30827244CH4 3340.0941419982 68.483938914 !10772.606406919 13984.306137181CO2 !7796.941898967 70.90710191 !19292.473360149 !324882.87634297H2O !44917.87234363 60.748288936 !143438.0710146 !188062.147928331CO !16102.4761896849 60.00749131 !113421.20860119 !67417.8473109729H2 961.463410284 43.3211187661 !60641.74136919 4028.02220607Reaction "eaction #NO+N=O+N2 21.84709761 307233634.47468 R1 2.70$%13N+O2=NO+O 11.482276391 96981.84702206 R2 9.00$%09O+O+M=O2+M 21.7860323831 2.8944$%09 R3 1.20$%17CH4+H2O=CO+3H2 13.710832397 9.0061$%0 R4 3.00$%082CH4+O2=2CO+4H2 0.777823916 1.1286$%22 R5 4.40$%11Turbine Combustion Kinetics PFR-1; CVODE starts at line 100 on EXCEL Seethi0 (cal&'ol) si0 (cal/mol-K) Gi0 (cal/mol) hi0 ((&'ol)ln KR = -)*i Gi0/RT KR2H2+O2=2H2O 23.3619167 1.3914$%10 R6 6.80$%1CO+H2O=CO2+H2 !1.1249318107 3.2467$!01 R7 2.7$%09Temperature Out (K) see (o! 16" col 2) Co!ie"Preure Out (atm) 10 Solution from theCVOD Co!esee line 1#$ belo% !olution from C"O#$Outlet Con!ition" N%out+i ,eight fraction -ut .olar /low -ut1&10'(10(#0)*('E-00+ 0.147000 -2 0.162189872 36.281017333+&*(,+0+1,(,#0(E-00+ 0.767001 02 0.746916692 188.9606444391,,#11)*)#$())E-011 4.3013$!07 0- 4.332942999$!007 0.00104248741&('$$1*10)0+1#E-010 2.197$!06 - 1.23390828$!006 0.003216418,&')$,$0#*#1(*,E-01) 4.6436$!14 0 2.28492279$!014 1.124677406$!010#&,,01##$+)$'#1E-0## 3.1009$!18 124 1.74739726$!018 7.177369889$!01'$)'#$0$)'#,,E-00( 0.0720 22- 0.036196721 138.641096002+&*'#''1$0#)$(1E-00) 0.00076 1- 0.00071871 1.821669102$&+)'*)+0#$)$#)E-00$ 0.00013 22 9.03186480$!006 0.3091476061#&0$(+)#+##($*(E-00( 0.02790 1-2 0.0431300424 67.62316169291 su' +i & wi 1 2423.6740461111-rom CVODE #'#,&(*'0'(1111.,3.i4out 28.47031333CVODE ./0out #)&'*0,1,+," 5 82.0746. ('olar densit+) 5 7.5143375710052#-005"eactor #rea (16#) $(#&10$%&'2 31.9988 g&'ol$%&(2 28.0134 #ne)* +alance ,-T#R $%&(' 30.0061$a.eial +alance is /ol0e1 $%&' 1.9994 2&-ee1 (cal/s)$%&( 14.0067 2&'3. (cal/s)$%&454 16.04303 7added (cal&s)$%&52' 18.0134$%&4' 28.010$%&52 2.0194$%&4'2 44.0099 g&'ol 08g!'oles&c'39 c'3!at'&g'ol!:mol/cm3cm2#nlet Con!ition"/e. -ee1 /.eam /uel % #ir (21; -2< 79;02)Tin (K) 1(1,6in (,.m) 10/e. mole 7ac.ion in -in1 mass 7ac.ion in 03in*&'2in 0.147497 !&'2in 0.16874047 37.6936312797*&(2in 0.7664 !&(2in 0.746916702 188.9606470983*&('in 4.27683$!07 !&('in 0.00000041 0.0010371689*&'in 2.194$!06 !&'in 0.000001234 0.00321981*&(in 4.17680$!14 !&(in 2.060832607$!014 1.01291110239$!010*&454in 7.174$!09 !&454in 4.2386029702$!009 1.823067734032$!00*&52'in 0.07069 !&52'in 0.03613272 138.396490794*&4' in 0.001828 !&4' in 0.0017992062 4.432264184*&52in 0.000228 !&52in 1.618910214$!00 0.41299496*&4'2in 0.026821 !&4'2in 0.0414844443 6.043044941s3m *i 1.000000 su' 1 242.086868762$%&$i8in 28.4373033333333333333333333333333333333333"esidence Ti'e 6et #=o*e> see (row 44>col 2) $a"" %lo& 'g(")6*++2.76#nitial ,ue""from -S./1 0&1'*'$*#(1) 0&*((++',,$( 4.2768324110$!007 2.1943000030$!006CVODE0$7 10&? nu'=er of e@uations?&0-AT19 &? nu'=er of outBut ti'es ?& "T-C1.00$!08 &? scalar relati*e tolerance?& T00 &? initial ti'e ?& T1 3.$!009 &? first outBut ti'e?& T.ACT10 &? outBut ti'e factor ?&initial & component *ector a=solute tolerance co'BonentsN%in (mole'ec) an( T%out91 37.6936312797 #T-C1 1.00$!18 -2 92 188.9606470983 #T-C2 1.00$!18 02 D30.0010371689 #T-C3 1.00$!18 0-94 0.00321981 #T-C4 1.00$!18 -D 1.01291110$!010 #T-C 1.00$!18 096 1.823067734$!00 #T-C6 1.00$!18 124 97 138.396490794 #T-C7 1.00$!18 22-+-2+02+0-+- D84.432264184 #T-C8 1.00$!18 1-99 0.41299496 #T-C9 1.00$!18 22910 6.043044941 #T-C10 1.00$!18 1-2P/"E & 03out ('ol&s) -2 02 0- -3.50#-09 357.69363128 1858.96064710 0.00103717 0.005321983.50#-08 357.69363128 1858.96064710 0.00103717 0.005321983.50#-07 357.69363126 1858.96064710 0.00103717 0.005321983.50#-06 357.69363104 1858.96064710 0.00103717 0.005321983.50#-05 357.69362889 1858.96064710 0.00103717 0.005321983.50#-04 357.69360735 1858.96064710 0.00103717 0.005321983.50#-03 357.69339199 1858.96064710 0.00103717 0.005321980.035 357.69124313 1858.96064710 0.00103717 0.005321980.35 357.67019934 1858.96064708 0.00103721 0.005321971.8790544323 357.57671623 1858.96064698 0.00103741 0.005321914.3729789468 357.44236862 1858.96064682 0.00103773 0.005321827.6092965709 357.28583976 1858.96064660 0.00103816 0.0053217310.5152299855 357.15682482 1858.96064641 0.00103855 0.0053216614.2751111907 357.00322671 1858.96064616 0.00103905 0.0053216017.6643224411 356.87630821 1858.96064592 0.00103952 0.0053215622.2355108145 356.72075422 1858.96064561 0.00104015 0.0053215326.4247576298 356.59243561 1858.96064532 0.00104073 0.0053215332.0870658828 356.43820451 1858.96064492 0.00104153 0.0053215638.7652826164 356.28105173 1858.96064444 0.00104249 0.00532164a a6 a75.233997 -1.173185 0.103883 0 45.7715.94566 -4.85889 0.5861501 0 49.00417.18511 -4.95726 0.5755281 21580 50.3474.403357 -1.271341 0.1491408 59559 38.468-0.03242073 0.01094605 -0.001373727 112965 36.61443.29269 -12.56732 1.469695 -17895 44.49-7.935665 2.121672 -0.2408713 -94054 51.0721.696464 -0.3706212 0.03992444 -57798 45.1068.860125 -2.314819 0.2447785 -26417 47.214-7.016263 1.923395 -0.2084091 0 31.208cal to )oule 4.1868244.663431071 !34091.33806941261.0000139 !37818.649666126.799099069 !296227.83247011196.908866333 !4212.921164104188.24093 194749.20166868 " 5 8.31(&'ole!:286.728411 !4102.6890449296.87384404 !806346.1674642724.340936114 !60046.17271121.2392164169 !474871.91637632181.3768600497 !23894.86011672cal&g'ol=0 3 2418382604737 307233634.47468 7.871433$%031 6>00 194228473127.69 96981.84702206 2.002736$%07!1 0 739928949111.2 381793010281 0.19209987032 30>000 7114174984.6637 .083430481706$!00 14062802106403 30>000 170104100836949000 478814.96417011 3233162.66CVODE starts at line 100 on EXCEL Seet:2f0(cal&'ol) :/70(cal/mol-K)si0 (;/mol-K) Gi0 (;/mol)"3gas 5 82.0746 c'3!at'&g'ol!:c'3&g'ol!s 2ere P0 5 1 at' c'3&g'ol!s$aFfor 5 #T=e4B(!$a&"T):1 5 :"(P0&"T)c%d!a!=Fre* 5 Ffor&:11 20>000 222148938197400 181661373860 12.0170743810. 20>000 2234348.120719 0.324674606 68823841.744204N%in,eight fraction ,eight fraction G0 .olar /low Gn0.16874047 37.69363127970.746916702 188.96064709830.00000041 0.00103716890.000001234 0.003219812.060833$!014 1.0129111024$!0104.2386030$!009 1.82306773403$!000.03613272 138.3964907940.0017992062 4.4322641841.6189102$!00 0.412994960.0414844443 6.0430449411 242.086868762'ol&s -rom CVODE #'#+&0)(+)()*(# 'ol&s2&-ee1 11482646.624426Tin = 1613 KTo3. = +1611295403.5011129403.0102&-ee1 (o 2in) is 1e.emine1