Table 2 Detailed parameters of the molecular model.

From: Experimental and simulation study on the delayed release of CO in the initial stage of the low-temperature oxidation of coal

Molecular formula

Molecular weight

Element content/%

Aromaticity/%

(C174H148O5N2)

2344

C

H

O

N

66.5

89.04

6.36

3.41

1.19

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