Characteristics of Generating Carbon Oxides at Low-temperature Oxidation Stages of Low-Rank Coal

Table 5

Thermodynamics data of key chemical reactions after coal oxygen chemisorption.

Reaction formula	Heat release amount ΔH/(kJ/mol)	Activation energy ΔE/(kJ/mol)	Basis set for calculation
	−168.29	62.33	B3LYP 6−31G (d, p)
	8.42	34.25	B3LYP 6−31G (d, p)
	45.88	78.11	B3LYP 6−31G (d, p)