Simulation strategies for ReaxFF molecular dynamics in coal .
WEBMar 1, 2023 · Pyrolysis, which is the initial stage of the coal conversion process, is a significant approach to realize efficient coal resource utilization. ... Curvefitted XRD spectra of coal sample (obtain the physical structure information of HSW coal); (c) XPS Cls, O1s and N1s spectra for HSW coal and curveresolution into different components ...