Combined ReaxFF and Ab Initio MD Simulations of Brown Coal Oxidation and Coal-Water Interactions

Shi Yu, Ruizhi Chu, Xiao Li, Guoguang Wu, Xianliang Meng. Combined ReaxFF and Ab Initio MD Simulations of Brown Coal Oxidation and Coal-Water Interactions. Entropy, 24(1):71, 2022. [doi]

Abstract

Abstract is missing.