Table 1
All reactions with negative γ coefficients that were refitted.
Educts | Products | α old | β old | γ old | T min | T max | α new | β new | γ new | [Error] | |||||
|
|||||||||||||||
C | + | O2 | → | CO | + | O | 2.48(–12) | 1.54 | –613 | 295 | 8000 | 9.94(–12) | 1.05 | –42.48 | –0.42, 0.26 |
N | + | OH | → | NO | + | H | 4.06(–11) | 0.05 | –78 | 103 | 2500 | 5.73(–11) | –0.15 | 1.34 | –0.19, 0.09 |
NH | + | NH | → | NH2 | + | N | 1.03(–14) | 3.07 | –1123 | 300 | 3000 | 1.81(–13) | 1.80 | –70.03 | –0.47, 0.36 |
NH | + | NO2 | → | N2O | + | OH | 1.44(–13) | 0 | –1140 | 200 | 300 | 1.06(–11) | –5.36 | 168 | –0.07, 0.04 |
CH3 | + | NH2 | → | CH2 | + | NH3 | 4.76(–17) | 5.77 | –151 | 300 | 2000 | 4.07(–17) | 5.85 | –205 | –0.03, 0.03 |
O | + | NH2 | → | HNO | + | H | 4.56(–11) | 0 | –10 | 200 | 3000 | 4.72(–11) | –0.02 | 0.38 | –0.01, 0.01 |
O | + | OH | → | O2 | + | H | 1.77(–11) | 0 | –178 | 158 | 5000 | 3.35(–11) | –0.28 | 4.30 | –0.29, 0.15 |
O | + | O2H | → | O2 | + | OH | 3.17(–11) | 0 | –174 | 200 | 2500 | 5.76(–11) | –0.30 | 7.48 | –0.17, 0.09 |
O | + | HS | → | SO | + | H | 8.25(–11) | 0.17 | –254 | 298 | 2000 | 1.74(–10) | –0.20 | 5.70 | –0.12, 0.06 |
O | + | NO2 | → | O2 | + | NO | 6.5(–12) | 0 | –120 | 200 | 2500 | 9.82(–12) | –0.21 | 5.16 | –0.12, 0.06 |
NH2 | + | OH | → | H2O | + | NH | 7.78(–13) | 1.50 | –230 | 250 | 3000 | 1.35(–12) | 1.25 | –43.45 | –0.14, 0.07 |
OH | + | C2H2 | → | CO | + | CH3 | 6.51(–18) | 4.00 | –1006 | 500 | 2500 | 4.75(–17) | 3.16 | –128 | –0.18, 0.10 |
OH | + | H2CO | → | HCO | + | H2O | 2.22(–12) | 1.42 | –416 | 200 | 3000 | 7.76(–12) | 0.82 | –30.62 | –0.35, 0.21 |
OH | + | HNO | → | NO | + | H2O | 4.44(–12) | 1.37 | –169 | 298 | 4000 | 6.17(–12) | 1.23 | –44.29 | –0.09, 0.04 |
OH | + | O2H | → | O2 | + | H2O | 3.66(–11) | –0.13 | –244 | 200 | 2500 | 8.58(–11) | –0.56 | 14.76 | –0.23, 0.13 |
NH3 | + | CN | → | HCN | + | NH2 | 3.41(–11) | –0.90 | –9.90 | 25 | 761 | 3.73(–11) | –1.08 | 10.00 | –0.23, 0.09 |
C2H | + | C2H2 | → | H2CCCC | + | H | 1.31(–10) | 0 | –25 | 143 | 3400 | 1.44(–10) | –0.05 | 0.80 | –0.05, 0.02 |
CN | + | CH3CH3 | → | C2H5 | + | HCN | 4.8(–12) | 2.08 | –484 | 185 | 1140 | 2.34(–11) | 1.02 | –34.95 | –0.28, 0.17 |
CN | + | O2 | → | NO | + | CO | 5.01(–12) | –0.46 | –8 | 13 | 1565 | 5.12(–12) | –0.49 | –5.16 | –0.11, 0.02 |
CN | + | O2 | → | OCN | + | O | 1.86(–11) | –0.13 | –40 | 13 | 4526 | 2.02(–11) | –0.19 | –31.91 | –0.30, 0.07 |
CN | + | NO2 | → | NO | + | OCN | 3.93(–11) | 0 | –199 | 297 | 2500 | 7.02(–11) | –0.27 | 8.27 | –0.11, 0.06 |
C2H3 | + | O2 | → | H2CO | + | HCO | 4.62(–12) | 0 | –171 | 200 | 362 | 8.87(–12) | –0.73 | 22.67 | –0.02, 0.01 |
C2H3 | + | O2 | → | O2H | + | C2H2 | 2.16(–14) | 1.61 | –193 | 300 | 3500 | 3.15(–14) | 1.45 | –51.97 | –0.09, 0.04 |
HCO | + | O2 | → | O2H | + | CO | 1.58(–12) | 1.24 | –353 | 200 | 2500 | 4.64(–12) | 0.70 | –25.61 | –0.29, 0.17 |
O2 | + | S | → | SO | + | O | 4.74(–13) | 1.41 | –439 | 200 | 3460 | 1.76(–12) | 0.81 | –30.75 | –0.38,0.24 |
Notes. The coefficients on the left are the original UDFA values, the new fits to the coefficients are given on the right side (numbers in parentheses mean: times ten raised to that power). The last column gives the relative error brackets across the given temperature range (given in K) with respect to the original fit.
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