Ontology highlight
ABSTRACT:
SUBMITTER: Zhang J
PROVIDER: S-EPMC8175335 | biostudies-literature | 2021 Jun
REPOSITORIES: biostudies-literature
Zhang Jing J Wang Jiren J Zhang Chunhua C Li Zongxiang Z Zhu Jinchao J Lu Bing B
Scientific reports 20210603 1
To study the adsorption characteristics of CO, CO<sub>2</sub>, N<sub>2</sub>, O<sub>2</sub>, and their binary-components in lignite coal, reveal the influence of CO<sub>2</sub> or N<sub>2</sub> injection and air leakage on the desorption of CO in goafs, a lignite model (C<sub>206</sub>H<sub>206</sub>N<sub>2</sub>O<sub>44</sub>) was established, and the supercell structure was optimized under temperatures of 288.15-318.15 K for molecular simulation. Based on molecular dynamics, the Grand Canonica ...[more]