Table 2. Tuned Model Parameters.

rate constant	linear equation of ln(ki) and 1/T	R2	Eai (kJ mol–1)	ΔHj (×107 J kmol–1)
k1	ln(k1) = −9495.4 × (1/T) + 21.386	0.9927	78.94475	–2.39493
k–1	ln(k–1) = −12376 × (1/T) + 23.886	0.9940	102.89406
k2	ln(k2) = −11408 × (1/T) + 24.069	0.9975	94.84611
k3	ln(k3) = −5231.5 × (1/T) + 9.9526	0.9962	43.49469	1.43932
k–3	ln(k–3) = −3500.3 × (1/T) + 5.8087	0.9924	29.10149