Table 4. Arrhenius Fits in the Form ATα exp(−EA/RT)a.
P (atm) | A (cm3 mol–1 s–1) | α | EA (cal/mol) | R2 | T range (K) |
---|---|---|---|---|---|
C6H6 + O → C6H5O + H | |||||
0.1 | 1.34 × 108 | 1.76 | 5620 | 1.00 | 300–2200 |
1 | 1.04 × 108 | 1.79 | 5600 | 1.00 | 300–2200 |
10 | 2.91 × 108 | 1.66 | 5880 | 1.00 | 300–2200 |
100 | 6.67 × 109 | 1.28 | 6930 | 1.00 | 300–2200 |
C6H6 + O → CO + C5H6 | |||||
0.1 | 6.09 × 1015 | –0.91 | 9840 | 0.99 | 300–2200 |
1 | 2.22 × 1018 | –1.58 | 14800 | 1.00 | 300–2200 |
10 | 3.01 × 1019 | –1.83 | 20300 | 1.00 | 800–2200 |
100 | 5.63 × 1002 | 2.87 | 12900 | 0.99 | 1000–2200 |
C6H6 + O → C6H5OH (Original) | |||||
0.1 | 1.80 × 1016 | –6.73 | –14031 | 0.98 | 300–1500 |
1 | 3.49 × 1012 | –0.78 | 1200 | 0.99 | 300–1500 |
10 | 1.97 × 1023 | –3.11 | 8560 | 1.00 | 500–1750 |
100 | 5.61 × 1021 | –2.63 | 7900 | 1.00 | 300–2000 |
C6H6 + O → C6H5OH (Duplicate) | |||||
0.1 | 1.40 × 1038 | –7.68 | 14400 | ||
1 | 1.05 × 1028 | –4.55 | 10500 | ||
10 | 1.46 × 1032 | –6.88 | 7500 | ||
100 | 7.90 × 1033 | –7.60 | 7500 |
Units: cal, mol, s, cm3. In the fitting, the rate constants for all of the collisionally-stabilized wells (mainly 1W1, 1W2, and 1W7) were merged into that of phenol (1W1).