Yilong Zhang

TL;DR: In this article, the microscopic parameters of each model were calculated by density functional theory (DFT), and the elementary reaction pathways and thermodynamic parameters of hydroxyl groups were explored, and the results of intrinsic reaction coordinate (IRC) indicated that hydrogen captured by oxygen is endothermic, while the ·OH free radical capturing hydrogen is exothermic.

TL;DR: Aldehyde groups play a key role in the process of coal spontaneous combustion as discussed by the authors, and aldehyde is one of the main oxygen functional groups, but their reaction pathways are still uncle...

TL;DR: In this article, three major organic sulfides of coking coal were extracted and identified by experiments, and coal molecules containing sulfide groups were respectively constructed via simulation, where the adsorption isotherm curves of methane under different moisture contents were created.

TL;DR: The results prove that terahertz dielectric constant spectrum, combined with machine learning algorithms, would be a promising technique to monitor coal spontaneous combustion with high efficiency.

TL;DR: Considering the major prevention measures of the spontaneous combustion of coal, a staged warning and disposal table was created and the critical point of each stage was determined using adiabatic oxidation experiments and programmed heat experiments.