Ontology highlight
ABSTRACT:
SUBMITTER: Zhang H
PROVIDER: S-EPMC10785673 | biostudies-literature | 2024 Jan
REPOSITORIES: biostudies-literature
Zhang Huan H Song Chuang C Zhang Xiangyang X Zhao Hongbao H Du Shuangli S Tao Wenfei W Chai Haonan H Lv Yaping Y
ACS omega 20231218 1
Functional groups and small-molecule organic matter are two key parts of coal. To explore the microscopic mechanism underlying the synergistic effect of both parts on methane adsorption, the oxygen-containing (-OH, -COOH, and -C=O) and nitrogen-containing (-NH<sub>2</sub>) functional groups and two common small molecular organic matter methylbenzene and tetrahydrofuran-2-alcohol in coal are selected. The quantum chemical meta-GGA functional method is used to optimize all structures. The electros ...[more]