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Article Synopsis
  • A new composite model of kaolinite and coal, called KCK, was developed to study CO gas generation and adsorption in coal gangue at a microscopic level, enhancing understanding of its structure compared to traditional models.
  • Using molecular dynamics, the study examined how CO is produced in various oxygen environments and how temperature affects CO's adsorption and movement within the gangue.
  • Findings revealed that CO is primarily generated from the breakdown of organic compounds, the KCK model has better adsorption capacity, and gas behavior in the gangue is more accurately represented due to additional adsorption sites from carbon structures.
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