内蒙古铁北煤矿褐煤的CO_(2)/CH_(4)/N_(2)竞争吸附微观特性研究  

Study on microscopic characteristics of competitive adsorption of CO_(2)/CH_(4)/N_(2) onto lignite from Tiebei coal mine in Inner Mongolia

作　　者：贾进章[1] 肖聆伊 JIA Jinzhang;XIAO Lingyi(College of Safety Science and Engineering,Liaoning Technical University,123000 Fuxin,China;Key Laboratory of Mine Thermal Power Disaster and Prevention of Ministry of Education,Liaoning Technical University,125100 Huludao,China)

机构地区：[1]辽宁工程技术大学安全科学与工程学院,辽宁阜新123000 [2]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125100

出　　处：《煤炭转化》2024年第5期10-23,共14页Coal Conversion

基　　金：国家自然科学基金项目(52174183)。

摘　　要：为研究煤对CO_(2),CH_(4)和N_(2)混合气体的竞争吸附特性及微观机理,以内蒙古铁北煤矿褐煤为研究对象,基于元素分析、固体^(13)C核磁共振光谱(^(13)C NMR)分析、傅立叶红外光谱(FTIR)分析、X射线光电子能谱(XPS)分析和X射线衍射(XRD)分析等实验分析结果构建了铁北煤矿褐煤大分子结构模型,并进行了CO_(2),CH_(4)和N_(2)在铁北煤矿褐煤分子结构模型中吸附行为的分子模拟以及不同体积比CO_(2)/CH_(4)和CH_(4)/N_(2)二元组分混合气体竞争吸附行为的分子模拟。结果表明:铁北煤矿褐煤的芳碳率为51.98%,芳香结构主要以苯和萘为主,氧元素存在于酚、醚、羰基和羧基中,含氮结构主要以吡咯和吡啶的形式存在,硫元素主要存在于噻吩硫中,芳烃取代方式主要为三取代形式,芳香桥碳与周碳的数量比X_(BP)为0.14。铁北煤矿褐煤大分子结构模型的分子式为C_(190)H_(200)O_(57)N_(2)。单组分气体CO_(2)/CH_(4)/N_(2)的吸附量和等量吸附热均随温度的升高而减小,温度升高对CO_(2)吸附量和等量吸附热的影响最大,对CH_(4)吸附量和等量吸附热的影响次之,对N_(2)吸附量和等量吸附热的影响最小。在CO_(2)/CH_(4)和CH_(4)/N_(2)混合气体中,单组分气体的分压越大,该气体吸附量越大。CH_(4)与CO_(2)的等量吸附热差值大于CH_(4)与N_(2)的等量吸附热差值。In order to study the competitive adsorption characteristics and microscopic mechanism of coal for CO_(2),CH_(4)and N_(2)mixed gas,the lignite from Tiebei coal mine in Inner Mongolia was taken as the research object,and the macromolecular structure model of lignite from Tiebei coal mine was constructed by experimental analysis,such as ultimate analysis,solid 13C nuclear magnetic resonance(NMR),Fourier transform infrared spectroscopy(FTIR),X-ray photoelectron spectroscopy(XPS)and X-ray diffraction analysis(XRD).Based on the construc-ted molecular structure model,the adsorption behavior of CO_(2),CH_(4),and N_(2)in the molecular structure model of lignite from Inner Mongolia Tiebei coal mine was studied using molecular sim-ulation,as well as the competitive adsorption behavior of CO_(2)/CH_(4)and CH_(4)/N_(2)binary compo-nent mixtures with different volume ratios.The results demonstrate that the aromatic carbon ra-tio of lignite in Tiebei coal mine is 51.98%,the aromatic structure is mainly benzene and naph-thalene,the oxygen element exists in phenol,ether,carbonyl and carboxyl,the nitrogen struc-ture mainly exists in the form of pyrrole and pyridine,the sulfur element mainly exists in thio-phene sulfur,and the aromatic hydrocarbon substitution mode is mainly trisubstituted.The ratio of aromatic bridgehead carbon to surrounding carbon(X_(BP))is 0.14.The molecular formula of the macromolecular structure model of lignite in Tiebei coal mine is C_(190)H_(200)O_(57)N_(2).The adsorp-tion capacity and equivalent adsorption heat of single component gas CO_(2)/CH_(4)/N_(2)decrease with the increase of temperature.The increase of temperature has the greatest impact on CO_(2)adsorp-tion capacity and equivalent adsorption heat,followed by CH_(4)and N_(2).In mixed gases CO_(2)/CH_(4)and CH_(4)/N_(2),the greater the partial pressure of a single component gas,the greater the adsorp-tion capacity of the gas.The difference in isobaric adsorption heat of CH_(4)and CO_(2)is greater than that of CH_(4)and N_(2).

关 键 词：煤分子模型 竞争吸附 吸附热 分子模拟 吸附量 

分 类 号：TQ530[化学工程—煤化学工程]