The adsorption behavior of CO_2, CH_4 and their mixtures in bituminous coal was investigated in this study. First, a bituminous coal model was built through molecular dynamic(MD) simulations, and it was confirmed to b...The adsorption behavior of CO_2, CH_4 and their mixtures in bituminous coal was investigated in this study. First, a bituminous coal model was built through molecular dynamic(MD) simulations, and it was confirmed to be reasonable by comparing the simulated results with the experimental data. Grand Canonical Monte Carlo(GCMC)simulations were then carried out to investigate the single and binary component adsorption of CO_2 and CH_4with the built bituminous coal model. For the single component adsorption, the isosteric heat of CO_2 adsorption is greater than that of CH_4 adsorption. CO_2 also exhibits stronger electrostatic interactions with the heteroatom groups in the bituminous coal model compared with CH_4, which can account for the larger adsorption capacity of CO_2 in the bituminous coal model. In the case of binary adsorption of CO_2 and CH_4mixtures, CO_2 exhibits the preferential adsorption compared with CH_4 under the studied conditions. The adsorption selectivity of CO_2 exhibited obvious change with increasing pressure. At lower pressure, the adsorption selectivity of CO_2 shows a rapid decrease with increasing the temperature, whereas it becomes insensitive to temperature at higher pressure. Additionally, the adsorption selectivity of CO_2 decreases gradually with the increase of the bulk CO_2 mole fraction and the depth of CO_2 injection site.展开更多
Sorption isotherms of hydrocarbon and carbon dioxide （CO2） provide crucial information for designing processes to sequester CO2 and recover natural gas from unmineable coal beds. Methane （CH4）, ethane （C2H6）, an...Sorption isotherms of hydrocarbon and carbon dioxide （CO2） provide crucial information for designing processes to sequester CO2 and recover natural gas from unmineable coal beds. Methane （CH4）, ethane （C2H6）, and CO2 adsorption isotherms on dry coal and the temperature effect on their maximum sorption capacity have been studied by performing combined Monte Carlo （MC） and molecular dynamics （MD） simulations at temperatures of 308 and 370 K （35 and 97 ~C） and at pressures up to 10 MPa. Simulation results demonstrate that absolute sorption （expressed as a mass basis） divided by bulk gas density has negligible temperature effect on CH4, C2H6, and CO2 sorption on dry coal when pressure is over 6 MPa. CO2 is more closely packed due to stronger interaction with coal and the stronger interaction between CO2 mole- cules compared, respectively, with the interactions between hydrocarbons and coal and between hydrocarbons. The results of this work suggest that the ＂a＂ constant （pro- portional to TcPc） in the Peng-Robinson equation of state is an important factor affecting the sorption behavior of hydrocarbons. CO2 injection pressures of lower than 8 MPa may be desirable for CH4 recovery and CO2 sequestration. This study provides a quantitative under- standing of the effects of temperature on coal sorptioncapacity for CH4, C2H6, and CO2 from a microscopic perspective.展开更多
This paper considers, through a lot of measured data of coal-bed gas, that the coal-bed gas is a kind of mixed gas of complex composition with some heavy hydrocarbons. In general, it is not a dry gas. The coal-bed hyd...This paper considers, through a lot of measured data of coal-bed gas, that the coal-bed gas is a kind of mixed gas of complex composition with some heavy hydrocarbons. In general, it is not a dry gas. The coal-bed hydrocarbon gases can obviously be divided into three stages of gas-storage: "poor hydrocarbon-storing stage", "rich hydrocarbon-storing stage" and "declining hydrocarbon stage". Authors point out that the normal gas geochemical indexes can relatively well show the geochemical chatacteristics of coal-bed gas. But, "the Benzene Index (B)" is a good indicator to identify the gas original types, and "the Hexane Index(H)" can show the gas evolution law and the organic matter maturity.展开更多
利用质量分数电导率法研究了克拉玛依常压渣油悬浮床加氢裂化在不同反应时间和反应温度下的胶体稳定性,并验证Yen T F渣油胶体结构模型。结果表明,克拉玛依常压渣油悬浮床加氢裂化体系的胶体稳定性在生焦诱导期内下降迅速,在生焦诱导期...利用质量分数电导率法研究了克拉玛依常压渣油悬浮床加氢裂化在不同反应时间和反应温度下的胶体稳定性,并验证Yen T F渣油胶体结构模型。结果表明,克拉玛依常压渣油悬浮床加氢裂化体系的胶体稳定性在生焦诱导期内下降迅速,在生焦诱导期后下降趋于缓慢;反应温度的升高使体系胶体稳定性下降。从反应后产物的族组成及其数均相对分子质量探讨了体系胶体稳定性变化的原因。研究表明,随着反应的进行,克拉玛依常压渣油体系中作为分散介质的饱和烃和轻芳烃含量逐渐上升,作为胶溶剂的胶质含量显著下降,其可溶质相对分子质量均呈下降趋势;而作为分散相的沥青质质量分数及数均相对分子质量在生焦诱导期内上升,在生焦后开始下降。胶体体系族组成及数均相对分子质量的变化破坏了该体系原有的稳定结构,导致了体系胶体稳定性的下降。展开更多
基金Supported by the CNPC Huabei Oilfield Science and Technology Development Project(HBYT-CYY-2014-JS-378,HBYT-CYY-2015-JS-47)
文摘The adsorption behavior of CO_2, CH_4 and their mixtures in bituminous coal was investigated in this study. First, a bituminous coal model was built through molecular dynamic(MD) simulations, and it was confirmed to be reasonable by comparing the simulated results with the experimental data. Grand Canonical Monte Carlo(GCMC)simulations were then carried out to investigate the single and binary component adsorption of CO_2 and CH_4with the built bituminous coal model. For the single component adsorption, the isosteric heat of CO_2 adsorption is greater than that of CH_4 adsorption. CO_2 also exhibits stronger electrostatic interactions with the heteroatom groups in the bituminous coal model compared with CH_4, which can account for the larger adsorption capacity of CO_2 in the bituminous coal model. In the case of binary adsorption of CO_2 and CH_4mixtures, CO_2 exhibits the preferential adsorption compared with CH_4 under the studied conditions. The adsorption selectivity of CO_2 exhibited obvious change with increasing pressure. At lower pressure, the adsorption selectivity of CO_2 shows a rapid decrease with increasing the temperature, whereas it becomes insensitive to temperature at higher pressure. Additionally, the adsorption selectivity of CO_2 decreases gradually with the increase of the bulk CO_2 mole fraction and the depth of CO_2 injection site.
基金supported by the National Basic Research Program of China (2014CB239004)the ‘‘Element and Process Constraint Petroleum System Modeling’’ project (No. 2011A-0207) under the Petro China Science Innovation program
文摘Sorption isotherms of hydrocarbon and carbon dioxide （CO2） provide crucial information for designing processes to sequester CO2 and recover natural gas from unmineable coal beds. Methane （CH4）, ethane （C2H6）, and CO2 adsorption isotherms on dry coal and the temperature effect on their maximum sorption capacity have been studied by performing combined Monte Carlo （MC） and molecular dynamics （MD） simulations at temperatures of 308 and 370 K （35 and 97 ~C） and at pressures up to 10 MPa. Simulation results demonstrate that absolute sorption （expressed as a mass basis） divided by bulk gas density has negligible temperature effect on CH4, C2H6, and CO2 sorption on dry coal when pressure is over 6 MPa. CO2 is more closely packed due to stronger interaction with coal and the stronger interaction between CO2 mole- cules compared, respectively, with the interactions between hydrocarbons and coal and between hydrocarbons. The results of this work suggest that the ＂a＂ constant （pro- portional to TcPc） in the Peng-Robinson equation of state is an important factor affecting the sorption behavior of hydrocarbons. CO2 injection pressures of lower than 8 MPa may be desirable for CH4 recovery and CO2 sequestration. This study provides a quantitative under- standing of the effects of temperature on coal sorptioncapacity for CH4, C2H6, and CO2 from a microscopic perspective.
文摘This paper considers, through a lot of measured data of coal-bed gas, that the coal-bed gas is a kind of mixed gas of complex composition with some heavy hydrocarbons. In general, it is not a dry gas. The coal-bed hydrocarbon gases can obviously be divided into three stages of gas-storage: "poor hydrocarbon-storing stage", "rich hydrocarbon-storing stage" and "declining hydrocarbon stage". Authors point out that the normal gas geochemical indexes can relatively well show the geochemical chatacteristics of coal-bed gas. But, "the Benzene Index (B)" is a good indicator to identify the gas original types, and "the Hexane Index(H)" can show the gas evolution law and the organic matter maturity.
文摘利用质量分数电导率法研究了克拉玛依常压渣油悬浮床加氢裂化在不同反应时间和反应温度下的胶体稳定性,并验证Yen T F渣油胶体结构模型。结果表明,克拉玛依常压渣油悬浮床加氢裂化体系的胶体稳定性在生焦诱导期内下降迅速,在生焦诱导期后下降趋于缓慢;反应温度的升高使体系胶体稳定性下降。从反应后产物的族组成及其数均相对分子质量探讨了体系胶体稳定性变化的原因。研究表明,随着反应的进行,克拉玛依常压渣油体系中作为分散介质的饱和烃和轻芳烃含量逐渐上升,作为胶溶剂的胶质含量显著下降,其可溶质相对分子质量均呈下降趋势;而作为分散相的沥青质质量分数及数均相对分子质量在生焦诱导期内上升,在生焦后开始下降。胶体体系族组成及数均相对分子质量的变化破坏了该体系原有的稳定结构,导致了体系胶体稳定性的下降。
