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硫化氢对不同煤级煤甲烷吸附影响效应研究

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为探究H2S在不同煤级煤体中对CH4吸附特性的影响效应,利用分子模拟构建肥煤、瘦煤及贫煤3种不同煤级的复杂煤大分子结构模型,并探究H2S对煤体孔隙的影响作用以及H2S在煤中的吸附特性,分析不同煤级煤体中H2S对CH4饱和吸附量的影响作用.结果显示:煤体表面积与孔隙体积与煤变质程度有关,由大到小依次为肥煤、瘦煤、贫煤;在煤体吸附H2S过程中,煤体表面及孔隙为H2S提供吸附场所,且H2S对贫煤孔隙率影响较为明显;在同温同压条件下,H2S在同一煤体中的吸附热约为CH4的1.5倍,在对CH4及H2S的双组分气体吸附中,煤体对H2S的吸附能力大于CH4;煤体H2S质量分数在0~1.5%变化区间内,贫煤的Langmuir吸附常数a降幅高达77.4%,肥煤及瘦煤分别为31.1%及32.6%,表明H2S质量分数的变化对贫煤的甲烷吸附能力影响更显著,肥煤及瘦煤次之.
Study on the effect of hydrogen sulfide on methane adsorption of different coal ranks
To explore the effect of H2 S on the CH4 adsorption characteristics in different coal ranks,this paper used molecular simulation technology to build three complex coal macromolecular structure models with different coal ranks(fat coal,lean coal,and meager coal)as the basic model,and explored the influence of H2 S on the pores of different coal ranks and the adsorption characteristics of H2 S in coal,and analyzed the trend of CH4 adsorption isothermal curves of different coal ranks with H2S.By comparing the corresponding CH4 saturation adsorption number,the effect of H2 S mass fractions of different coal ranks on CH4 saturation adsorption was obtained.The results show that the surface area and pore volume of the coal body are related to the degree of coal metamorphism,and the order was fat coal,lean coal,and meager coal.During the adsorption of H2S in the coal body,the surface and pores of coal provide adsorption sites for H2 S,and H2 S has a more obvious effect on the porosity of meager coal.Under the same temperature and pressure,the adsorption heat value of H2S is about 1.5 times that of CH4 in the same coal body,and the adsorption capacity of coal bodies for H2 S is larger than that of CH4 in the adsorption of two-component gases(CH4 and H2S).Within the range of 0-1.5%of H2 S adsorption capacity of coal,the Langmuir adsorption constant"a"decreases by 77.4%for meager coal,31.1%,and 32.6%for fat coal and lean coal,respectively,indicating that the change of H2 S adsorption capacity has a more significant effect on the CH4 adsorption capacity of the meager coal,followed by fat coal and lean coal.

safety engineeringH2 Sadsorption characteristicscoal rankmolecular simulation

李金雨、纪和、李懿欣、单亚飞、白刚、周西华、袁昕、武文杰

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辽宁工程技术大学安全科学与工程学院,辽宁葫芦岛 125105

辽宁工程技术大学矿山热动力灾害与防治教育部重点实验室,辽宁葫芦岛 125105

中国矿业大学(北京)能源与矿业学院,北京 100083

安全工程 H2S 吸附特性 煤级 分子模拟

国家自然科学基金国家自然科学基金国家自然科学基金中国科协青年人才托举工程项目

5230408652274204521041952022QNRC001

2024

安全与环境学报
北京理工大学 中国环境科学学会 中国职业安全健康协会

安全与环境学报

CSTPCD北大核心
影响因子:0.943
ISSN:1009-6094
年,卷(期):2024.24(5)