number of reactions = 89 reference temperature = 298.15 k
number of hv reactions = 12 reference pressure = 0.967 atm.
number of species = 40
rate constant
rxn reactants products (ppm-min units)
_______________________________________________________________________________
1 no2 --hv--> no + o 1.000E+00
2 o ------> o3 4.315E+06
3 o3 + no ------> no2 2.670E+01
4 o + no2 ------> no 1.375E+04
5 o + no2 ------> no3 2.307E+03
6 o + no ------> no2 2.435E+03
7 o3 + no2 ------> no3 4.751E-02
8 o3 --hv--> o 1.000E-03
9 o3 --hv--> o1d 1.000E-03
10 o1d ------> o 4.370E+10
11 h2o + o1d ------> 2.000*oh 3.250E+05
12 o3 + oh ------> ho2 1.002E+02
13 o3 + ho2 ------> oh 3.002E+00
14 no3 --hv--> no2 + o 1.000E+00
15 no3 + no ------> 2.000*no2 4.415E+04
16 no3 + no2 ------> no + no2 5.913E-01
17 no3 + no2 ------> n2o5 1.852E+03
18 n2o5 + h2o ------> 2.000*hno3 1.900E-06
19 n2o5 ------> no3 + no2 2.827E+00
20 no + no ------> 2.000*no2 + 2.000*ox 1.538E-04
21 no + no2 + h2o ------> 2.000*hono 1.600E-11
22 oh + no ------> hono 9.785E+03
23 hono --hv--> oh + no 1.710E-01
24 oh + hono ------> no2 + ox 9.770E+03
25 hono + hono ------> no + no2 + ox 1.500E-05
26 oh + no2 ------> hno3 1.680E+04
27 oh + hno3 ------> no3 + ox 2.175E+02
28 ho2 + no ------> oh + no2 + ox 1.226E+04
29 ho2 + no2 ------> pna 2.022E+03
30 pna ------> ho2 + no2 5.203E+00
31 oh + pna ------> no2 6.829E+03
32 ho2 + ho2 ------> h2o2 4.136E+03
33 ho2 + ho2 + h2o ------> h2o2 2.160E-01
34 h2o2 --hv--> 2.000*oh 1.000E-03
35 oh + h2o2 ------> ho2 2.521E+03
36 oh + co ------> ho2 3.220E+02
37 form + oh ------> ho2 + co 1.500E+04
38 form --hv--> 2.000*ho2 + co 1.000E-03
39 form --hv--> co 1.000E-03
40 form + o ------> oh + ho2 + co 2.376E+02
41 form + no3 ------> hno3 + ho2 + co 9.300E-01
42 ald2 + o ------> c2o3 + oh 6.369E+02
43 ald2 + oh ------> c2o3 2.398E+04
44 ald2 + no3 ------> c2o3 + hno3 3.700E+00
45 ald2 --hv--> xo2 + 2.000*ho2 + co
+ form 1.000E-03
46 c2o3 + no ------> no2 + xo2 + form
+ ho2 + ox 1.831E+04
47 c2o3 + no2 ------> pan 1.212E+04
48 pan ------> c2o3 + no2 2.273E-02
49 c2o3 + c2o3 ------> 2.000*xo2 + 2.000*form + 2.000*ho2 3.700E+03
50 c2o3 + ho2 ------> 0.790*form + 0.790*xo2 + 0.790*ho2
+ 0.790*oh 9.600E+03
51 oh ------> xo2 + form + ho2 1.765E+01
52 par + oh ------> 0.870*xo2 + 0.130*xo2n + 0.110*ho2
+ 0.110*ald2 + 0.760*ror - 0.110*par 1.203E+03
53 ror ------> 1.100*ald2 + 0.960*xo2 + 0.940*ho2
- 2.100*par + 0.040*xo2n + 0.020*ror 1.389E+05
54 ror ------> ho2 9.545E+04
55 ror + no2 ------> orni 2.200E+04
56 o + ole ------> 0.630*ald2 + 0.380*ho2 + 0.280*xo2
+ 0.300*co + 0.200*form + 0.020*xo2n
+ 0.220*par + 0.200*oh 5.923E+03
57 oh + ole ------> form + ald2 + xo2
+ ho2 - par 4.196E+04
58 o3 + ole ------> 0.500*ald2 + 0.740*form + 0.330*co
+ 0.440*ho2 + 0.220*xo2 + 0.100*oh
- par 1.806E-02
59 no3 + ole ------> 0.910*xo2 + 0.090*xo2n + form
+ ald2 - par + no2 1.135E+01
60 o + eth ------> form + 0.700*xo2 + co
+ 1.700*ho2 + 0.300*oh 1.081E+03
61 oh + eth ------> xo2 + 1.560*form + ho2
+ 0.220*ald2 1.191E+04
62 o3 + eth ------> form + 0.420*co + 0.120*ho2 2.712E-03
63 oh + tol ------> 0.080*xo2 + 0.360*cres + 0.440*ho2
+ 0.560*to2 9.146E+03
64 to2 + no ------> 0.900*no2 + 0.900*ho2 + 0.900*open
+ 0.100*orni + 0.900*ox 1.200E+04
65 to2 ------> cres + ho2 2.500E+02
66 oh + cres ------> 0.400*cro + 0.600*xo2 + 0.600*ho2
+ 0.300*open 6.100E+04
67 no3 + cres ------> cro + hno3 3.250E+04
68 cro + no2 ------> orni 2.000E+04
69 open --hv--> c2o3 + ho2 + co 9.380E-04
70 open + oh ------> xo2 + 2.000*co + 2.000*ho2
+ c2o3 + form 4.400E+04
71 open + o3 ------> 0.030*ald2 + 0.620*c2o3 + 0.700*form
+ 0.030*xo2 + 0.690*co + 0.080*oh
+ 0.760*ho2 + 0.200*mgly 1.501E-02
72 oh + xyl ------> 0.700*ho2 + 0.500*xo2 + 0.200*cres
+ 0.800*mgly + 1.100*par + 0.300*to2 3.620E+04
73 oh + mgly ------> xo2 + c2o3 2.600E+04
74 mgly --hv--> c2o3 + ho2 + co 1.000E-03
75 o + isop ------> 0.600*ho2 + 0.800*ald2 + 0.550*ole
+ 0.500*xo2 + 0.500*co + 0.450*eth
+ 0.900*par 2.700E+04
76 oh + isop ------> xo2 + form + 0.670*ho2
+ 0.130*xo2n + eth + 0.400*mgly
+ 0.200*c2o3 + 0.200*ald2 1.420E+05
77 o3 + isop ------> form + 0.400*ald2 + 0.550*eth
+ 0.200*mgly + 0.100*par + 0.060*co
+ 0.440*ho2 + 0.100*oh 1.800E-02
78 no3 + isop ------> xo2n + orni 4.700E+02
79 xo2 + no ------> no2 + ox 1.200E+04
80 xo2 + xo2 ------> 1.996E+03
81 xo2n + no ------> orni 1.000E+03
82 nr ------> nr 1.000E+00
83 apin ------> 7.000*par + 0.750*ald2 + 0.750*ole 1.000E+10
84 unkn ------> 7.500*par + 0.875*ald2 + 0.375*ole 1.000E+10
85 no3 --hv--> no 1.000E+00
86 o + dien ------> 0.600*ho2 + 0.800*ald2 + 0.550*ole
+ 0.500*xo2 + 0.500*co + 0.450*eth
+ 0.900*par 2.700E+04
87 oh + dien ------> xo2 + form + 0.670*ho2
+ 0.130*xo2n + eth + 0.400*mgly
+ 0.200*c2o3 + 0.200*ald2 1.420E+05
88 o3 + dien ------> form + 0.400*ald2 + 0.550*eth
+ 0.200*mgly + 0.100*par + 0.060*co
+ 0.440*ho2 + 0.100*oh 1.800E-02
89 no3 + dien ------> xo2n + orni 4.700E+02
kinetic expressions
units are: 1/(ppm-min)
falloff units are always cm**3/(molec-sec)
pressure used is 0.967 atmospheres.
this will affect rates for falloff and some special reactions.
k( 1) = 1.000E+00
reaction 1 uses absolute light table 1.
k( 2) = 8.383E+04 * exp( 1175.0/t)
k( 3) = 2.643E+03 * exp( -1370.0/t)
k( 4) = 1.375E+04
k( 5) = 2.303E+02 * exp( 687.0/t)
k( 6) = 3.233E+02 * exp( 602.0/t)
k( 7) = 1.760E+02 * exp( -2450.0/t)
k( 8) = 1.000E-03
reaction 8 uses absolute light table 5.
k( 9) = 1.000E-03
reaction 9 uses absolute light table 4.
k( 10) = 2.864E+10 * exp( 126.0/t)
k( 11) = 3.250E+05
k( 12) = 2.344E+03 * exp( -940.0/t)
k( 13) = 2.100E+01 * exp( -580.0/t)
k( 14) = 1.000E+00
reaction 14 uses absolute light table 3.
k( 15) = 1.909E+04 * exp( 250.0/t)
k( 16) = 3.660E+01 * exp( -1230.0/t)
k( 17) = 7.849E+02 * exp( 256.0/t)
k( 18) = 1.900E-06
k( 19) = 2.110E+16 * exp(-10897.0/t)
k( 20) = 2.600E-05 * exp( 530.0/t)
k( 21) = 1.600E-11
k( 22) = 6.554E+02 * exp( 806.0/t)
k( 23) = 1.710E-01
reaction 23 uses absolute light table 1.
k( 24) = 9.770E+03
k( 25) = 1.500E-05
k( 26) = 1.537E+03 * exp( 713.0/t)
k( 27) = 7.600E+00 * exp( 1000.0/t)
k( 28) = 5.482E+03 * exp( 240.0/t)
k( 29) = 1.640E+02 * exp( 749.0/t)
k( 30) = 2.876E+15 * exp(-10121.0/t)
k( 31) = 1.909E+03 * exp( 380.0/t)
k( 32) = 8.739E+01 * exp( 1150.0/t)
k( 33) = 7.690E-10 * exp( 5800.0/t)
k( 34) = 1.000E-03
reaction 34 uses absolute light table 6.
k( 35) = 4.720E+03 * exp( -187.0/t)
k( 36) = 3.220E+02
k( 37) = 1.500E+04
k( 38) = 1.000E-03
reaction 38 uses absolute light table 7.
k( 39) = 1.000E-03
reaction 39 uses absolute light table 8.
k( 40) = 4.302E+04 * exp( -1550.0/t)
k( 41) = 9.300E-01
k( 42) = 1.739E+04 * exp( -986.0/t)
k( 43) = 1.037E+04 * exp( 250.0/t)
k( 44) = 3.700E+00
k( 45) = 1.000E-03
reaction 45 uses absolute light table 9.
k( 46) = 7.915E+03 * exp( 250.0/t)
k( 47) = 1.180E-04 * exp( 5500.0/t)
k( 48) = 5.616E+18 * exp(-14000.0/t)
k( 49) = 3.700E+03
k( 50) = 9.600E+03
k( 51) = 7.774E+03 * exp( -1815.0/t)
k( 52) = 1.203E+03
k( 53) = 6.250E+16 * exp( -8000.0/t)
k( 54) = 9.545E+04
k( 55) = 2.200E+04
k( 56) = 1.756E+04 * exp( -324.0/t)
k( 57) = 7.740E+03 * exp( 504.0/t)
k( 58) = 2.104E+01 * exp( -2105.0/t)
k( 59) = 1.135E+01
k( 60) = 1.540E+04 * exp( -792.0/t)
k( 61) = 3.000E+03 * exp( 411.0/t)
k( 62) = 1.856E+01 * exp( -2633.0/t)
k( 63) = 3.106E+03 * exp( 322.0/t)
k( 64) = 1.200E+04
k( 65) = 2.500E+02
k( 66) = 6.100E+04
k( 67) = 3.250E+04
k( 68) = 2.000E+04
k( 69) = 9.380E-04
reaction 69 uses absolute light table 15.
k( 70) = 4.400E+04
k( 71) = 8.030E-02 * exp( -500.0/t)
k( 72) = 2.453E+04 * exp( 116.0/t)
k( 73) = 2.600E+04
k( 74) = 1.000E-03
reaction 74 uses absolute light table 15.
k( 75) = 2.700E+04
k( 76) = 1.420E+05
k( 77) = 1.800E-02
k( 78) = 4.700E+02
k( 79) = 1.200E+04
k( 80) = 2.550E+01 * exp( 1300.0/t)
k( 81) = 1.000E+03
k( 82) = 1.000E+00
k( 83) = 1.000E+10
k( 84) = 1.000E+10
k( 85) = 1.000E+00
reaction 85 uses absolute light table 2.
k( 86) = 2.700E+04
k( 87) = 1.420E+05
k( 88) = 1.800E-02
k( 89) = 4.700E+02
reference photolysis rates
temperature is: 298.15 k
pressure is: 1.00 atm.
| Reaction Number | Name | 0 degrees | 10 degrees | 20 degrees | 30 degrees | 40 degrees | 50 degrees | 60 degrees | 70 degrees | 78 degrees | 86 degrees |
| 8 | O3 | 3.32E-02 | 3.32E-02 | 3.28E-02 | 3.20E-02 | 3.07E-02 | 2.88E-02 | 2.56E-02 | 1.97E-02 | 1.29E-02 | 6.68E-03 |
| 9 | O3 | 2.33E-03 | 2.26E-03 | 2.02E-03 | 1.64E-03 | 1.18E-03 | 6.95E-04 | 2.89E-04 | 5.82E-05 | 5.30E-06 | 1.00E-07 |
| 14 | NO3 | 1.22E+01 | 1.22E+01 | 1.21E+01 | 1.19E+01 | 1.15E+01 | 1.10E+01 | 9.91E+00 | 7.62E+00 | 4.84E+00 | 2.08E+00 |
| 23 | HONO | 1.01E-01 | 1.00E-01 | 9.78E-02 | 9.32E-02 | 8.60E-02 | 7.50E-02 | 5.78E-02 | 3.26E-02 | 1.20E-02 | 5.99E-04 |
| 34 | H2O2 | 4.74E-04 | 4.68E-04 | 4.45E-04 | 4.04E-04 | 3.46E-04 | 2.69E-04 | 1.74E-04 | 7.33E-05 | 1.80E-05 | 5.00E-07 |
| 38 | FORM | 2.08E-03 | 2.05E-03 | 1.94E-03 | 1.75E-03 | 1.47E-03 | 1.11E-03 | 6.82E-04 | 2.61E-04 | 5.64E-05 | 1.40E-06 |
| 39 | FORM | 2.94E-03 | 2.91E-03 | 2.79E-03 | 2.59E-03 | 2.28E-03 | 1.85E-03 | 1.27E-03 | 5.74E-04 | 1.53E-04 | 4.40E-06 |
| 45 | ALD2 | 3.64E-04 | 3.57E-04 | 3.30E-04 | 2.86E-04 | 2.27E-04 | 1.57E-04 | 8.44E-05 | 2.64E-05 | 4.50E-06 | 1.00E-07 |
| 69 | OPEN | 9.83E-03 | 9.81E-03 | 9.65E-03 | 9.32E-03 | 8.82E-03 | 8.02E-03 | 6.67E-03 | 4.38E-03 | 2.10E-03 | 2.83E-04 |
| 74 | MGLY | 1.05E-02 | 1.05E-02 | 1.03E-02 | 9.94E-03 | 9.40E-03 | 8.55E-03 | 7.11E-03 | 4.66E-03 | 2.24E-03 | 3.02E-04 |
| 85 | NO3 | 1.53E+00 | 1.54E+00 | 1.53E+00 | 1.50E+00 | 1.47E+00 | 1.41E+00 | 1.29E+00 | 1.02E+00 | 6.83E-01 | 3.49E-01 |
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