不同浓度烟气在煤中的竞争吸附行为及机理

发布时间：2018-05-11 17:14

本文选题：电厂烟气 + 煤　；参考：《煤炭学报》2017年05期

【摘要】：为研究不同浓度电厂烟气注入采空区后CO_2的封存效果、O_2的抑制吸附程度和竞争吸附机理,采用巨正则系综蒙特卡洛方法,建立煤结构模型,模拟采空区温度压力环境注入不同比例烟气时CO_2,N_2,O_2在煤中的竞争吸附行为,以作为指导烟气注气的依据。结果表明:随着烟气含量的增加,N_2和O_2的吸附量降低,CO_2和总吸附量升高,但升高和降低的速率减小,而等量吸附热随烟气含量变化的变异系数仅为0.48%~1.39%。随着烟气含量的增加,CO_2对N_2和O_2的吸附选择性降低,竞争性减弱。煤对CO_2的优先吸附位在能量最低的-34~-30 k J/mol区域,被占满后转向次优先吸附位。即吸附能力并不能直接反映吸附量,其主要由气相中各组分浓度控制,同时受竞争性和吸附位影响。
[Abstract]:In order to study the inhibition adsorption degree and competitive adsorption mechanism of CO_2 after flue gas injection into goaf in power plants with different concentrations, a coal structure model was established by using the grand canonical ensemble Monte Carlo method. The competitive adsorption behavior of CO _ 2C _ 2N _ (2) O _ (2) O _ (2) in coal is simulated when the temperature and pressure environment of goaf is injected with different proportion of flue gas, which can be used as the basis for guiding the gas injection of flue gas. The results showed that with the increase of flue gas content, the adsorption capacity of NSAs _ 2 and O _ s _ 2 decreased, but the rate of increase and decrease decreased, while the coefficient of variation of the same amount of heat of adsorption varied with the flue gas content was only 0.48% 1.39%. With the increase of flue gas content, the adsorption selectivity of N- and Ostack _ 2 decreases, and the competition decreases with the increase of flue gas content. The preferred adsorption site of CO_2 for coal is in the region of -34 ~ 30 k J/mol with the lowest energy, and is occupied by the second priority adsorption site. That is, the adsorption capacity can not directly reflect the adsorption capacity, which is mainly controlled by the concentration of each component in the gas phase, and is also affected by competition and adsorption sites.
【作者单位】：辽宁工程技术大学安全科学与工程学院;山西焦煤集团有限责任公司;辽宁工程技术大学安全工程技术研究院;
【基金】：国家自然科学基金资助项目(51174108)
【分类号】：O647.3;TD752.2

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