在煤炭中模拟甲扩散的动力学过程的格子博尔兹曼模拟与吸附-脱附歇斯底里效应
Zhigao Peng1,2, Shenggui Liu3, Yanqing Long4
1College of Civil Engineering, Hunan City University, Yiyang 413000, China.
ACS omega
|September 4, 2023
概括
煤床甲吸附-脱附歇斯底里是复杂的. 这项研究使用微观模型来揭示控制因素,如孔径大小和气体扩散和脱落的校正因子 (α和β).
科学领域:
- 地质科学 地质科学
- 化学工程是化学工程的重要组成部分.
- 物理 物理学 物理
背景情况:
- 煤床甲 (CBM) 的吸附-脱吸歇斯底里是一个已知的现象.
- 缺乏统一的机制和对影响因素的明确理解.
- 这种差距阻碍了CBM恢复的准确建模.
研究的目的:
- 引入和验证一个微尺度的格子博尔兹曼 (LB) 模型用于气体扩散-吸附-脱附在多孔介质中.
- 在微观尺度上研究吸附-脱附歇斯底里效应.
- 确定和分析这种歇斯底里的主要控制因素.
主要方法:
- 开发一个微量格子博尔茨曼 (LB) 模型,包括气体扩散,吸附和脱附.
- 在LB模型中包括吸附-脱吸液歇斯底里效应.
- 使用现有的实验数据验证模型.
主要成果:
- 该模型准确地模拟了各种孔径大小和压力的气体运输模式 (克努森扩散,粘性流).
- 校正因子α和β显著影响脱吸量和速度;较高的α增加了吸附和脱吸时间,较低的β降低了脱吸能力和速度.
- 孔径大小影响扩散-吸附-脱吸动力学;较大的孔径增强了扩散性,孔径低于10nm表明了脱吸速率的控制.
结论:
- 这项研究提供了微观洞察力,了解甲吸附-脱附歇斯底里机制.
- 已经确定了控制CBM扩散-吸附-脱附过程的关键因素.
- 开发的模型作为未来数值模拟和对吸附-脱吸歇斯底里的实验研究的基础.
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