构建了煤分子结构模型,并研究了C2H4和C2H2的吸附特性
Ji Wu1, Zongxiang Li2,3, Shuoran Huang2
1College of Safety Science and Engineering, Liaoning Technical University, Fuxin, 123000, Liaoning, China. 15566103225@163.com.
Scientific reports
|January 9, 2025
概括
废弃的煤炭吸附乙烯和乙烯,影响气体监测的准确性. 了解这种吸附是可靠的早期预警系统在的环境中至关重要的.
科学领域:
- 煤炭科学 煤炭科学
- 气体吸附吸附方式
- 化学工程是化学工程的组成部分.
背景情况:
- 煤炭氧化产生乙烯 (C2H4) 和乙烯 (C2H2) 在废弃的goaf地区.
- 煤炭吸附这些气体可能导致指示气体的监测不准确.
- 这种不准确性可能会延迟潜在危险的关键早期预警时间.
研究的目的:
- 为了研究乙烯和乙烯被煤炭吸附的规律.
- 在不同的条件下分析这些气体的吸附行为.
- 了解气体监测在GOAF环境中的影响.
主要方法:
- 通过模拟建立并优化了煤炭的宏分子结构模型.
- 采用大法典的蒙特卡洛方法来模拟气体吸附过程.
- 对单元气体和二元气体 (C2H4和C2H2) 的分析吸附量和位点.
主要成果:
- 煤样本S7和W12分别具有分子式C136H92O30N2S和C129H87O28N2S.
- 吸附能力随着压力增加而增加,但在更高的压力下达到平原.
- 高温对这两种气体的吸附能力产生不利影响.
- 乙烯 (C2H2) 的吸附位数比乙烯 (C2H4) 的吸附位数多.
结论:
- 煤炭在goaf中吸附乙烯和乙烯干扰了精确的气体度监测.
- 这些发现凸显了在气体检测系统中考虑煤炭吸附性能的必要性.
- 准确的监测对于在地下煤矿中及时发出危险警告至关重要.
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