In order to address the issue of safe and efficient extraction of coalbed methane in HS-containing coal mines, this study explored the impact of HS on CH diffusion and displacement within coal. The molecular structure model of Guizhou Linhua (LH) coal was obtained based on the structural physical characterization experiment of coal such as C NMR, FTIR, XPS, we investigated the diffusion coefficient of CH in coal under different fixed adsorption amounts of HS and examined the corresponding adsorption curves of mixed gas (HS, CH, CO) under varying component proportions using the molecular simulation software Materials Studio. The results indicate that when HS is present in the adsorption system, lower levels of absorbed HS content by coal correspond to higher CH diffusion coefficients and improved diffusion effects. In other words, the presence of HS inhibits CH diffusion within coal. Under identical temperature and pressure conditions, the adsorption capacity of coal for CH, HS, and CO follows this order: HS > CO > CH. When the mixture (CO)/(CH) is in the range of 0–150 % and there is HS influence in the system, there is a significant reduction in CH adsorption capacity compared to two-component coals containing CO/CH, it becomes evident that HS has an inhibitory effect on CO displacing CH within coal.

中文翻译：

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H2S对煤中CH4扩散驱替影响的研究

为了解决含H2S煤矿煤层气的安全高效开采问题，本研究探讨了H2S对煤内CH扩散和驱替的影响。基于13C NMR、FTIR、XPS等煤结构物理表征实验，建立了贵州临华（LH）煤的分子结构模型，研究了不同固定吸附量H2S下CH在煤中的扩散系数，并考察了煤中CH的扩散系数。使用分子模拟软件Materials Studio绘制了不同组分比例下混合气体（H2S、CH、CO）的相应吸附曲线。结果表明，当吸附系统中存在 H2S 时，煤吸附的 H2S 含量较低，对应于较高的 CH 扩散系数和改善的扩散效果。换句话说，H2S的存在抑制了CH在煤内的扩散。在相同温度和压力条件下，煤对CH、H2S和CO的吸附能力顺序为：H2S>CO>CH。当混合物(CO)/(CH)在0%~150%范围内且系统中存在H2S影响时,与含有CO/CH的双组分煤相比,CH吸附量显着降低,显然，H2S 对煤中 CO 置换 CH 具有抑制作用。