Zhang Ting-shan，He Ying-jie，Yang Yang，Wu Kun-yu . Molecular simulation of shale gas adsorption in organic-matter nanopores[J]. Natural Gas Geoscience, 2017 , 28(1) : 146 -155 . DOI: 10.11764/j.issn.1672-1926.2016.11.029

[1]Zou Caineng,Dong Dazhong,Yang Hua,et al.Conditions of shale gas accumulation and exploration practices in China[J].Natural Gas Industry,2011,31(12):26-39.[邹才能,董大忠,杨桦,等.中国页岩气形成条件及勘探实践[J].天然气工业,2011,31(12):26-39.]
[2]Wang Shiqian.Shale gas exploration and appraisal in China:Problems and discussion[J].Natural Gas Industry,2013,33(12):13-29.[王世谦.中国页岩气勘探评价若干问题评述[J].天然气工业,2013,33(12):13-29.]
[3]Zhang Xiaotao,Chen Man,Jiang Xin,et al.Productivity evaluation method of shale gas well[J].Natural Gas Geoscience,2016,27(3):549-553.[张小涛,陈满,蒋鑫,等.页岩气井产能评价方法研究[J].天然气地球科学,2016,27(3):549-553.]
[4]Curtis.Fractured shale-gas systems[J].AAPG Bulletin,2002,86(11):1921-1938.
[5]Wang Yuman,Dong Dazhong,Li Jianzhong,et al.Reservoir characteristics of shale gas in Longmaxi Formation of the Lower Silurian,southern Sichuan[J].Acta Petrolei Sinica,2012,33(4):551-561.[王玉满,董大忠,李建忠,等.川南下志留统龙马溪组页岩气储层特征[J].石油学报,2012,33(4):551-561.]
[6]Jiang Ruizhong,Qiao Xin,He Jixiang,et al.A new method to calculate shale gas geological reserves[J].Natural Gas Geoscience,2016,27(4):699-705.[姜瑞忠,乔欣,何吉祥,等.页岩气地质储量计算新方法[J].天然气地球科学,2016,27(4):699-705.]
[7]Ma Xingzhi,Liu Shaobo,Jiang Lin,et al.Quantitative analysis on affecting factors of gas adsorption capacity measurement on the shale[J].Natural Gas Geoscience,2016,27(3):488-493.[马行陟,柳少波,姜林,等.页岩吸附气含量测定的影响因素定量分析[J].天然气地球科学,2016,27(3):488-493.]
[8]Huang Zhenkai,Chen Jianping,Wang Yijun,et al.Characteristics of micropores of the Cretaceous Qingshankou Formation,Songliao Basin[J].Acta Petrolei Sinica,2013,34(1):30-36.[黄振凯,陈建平,王义军,等.松辽盆地白垩系青山口组泥岩微观孔隙特征[J].石油学报,2013,34(1):30-36.]
[9]Sima Liqiang,Li Qing,Yan Jianping,et al.The diversity analysis and meaning of mudstone and shale gas reservoir rock fabric between China and north America[J].Journal of Oil and Gas Technology,2013,35(9):29-33.[司马立强,李清,闫建平,等.中 国与北美地区页岩气储层岩石组构差异性分析及其意义[J].石油天然气学报,2013,35(9):29-33.]
[10]Ross D J K,Bustin R M.Shale gas potential of the Lower Jurassic Gordondale Member,northeastern British Columbia,Canada[J].Bulletin of Canadian Petroleum Geology,2007,55(1):51-75.
[11]Ross D J K,Bustin R M.The importance of shale composition and pore structure upon gas storage potential of shale gas reservoirs[J].Marine and Petroleum Geology,2009,26(6):916-927.
[12]Zou Caineng,Zhu Rukai,Bai Bin,et al.First discovery of nano-pore throat in oil and gas reservoir in China and its scientific value[J].Acta Petrologica Sinica,2011,27(6):1857-1864.[邹才能,朱如凯,白斌,等.中国油气储层中纳米孔首次发现及其科学价值[J].岩石学报,2011,27(6):1857-1864.]
[13]Li Wuguang,Yang Shenglai,Chen Feng,et al.The sensitivity study of shale gas adsorption and desorption with rising reservoir temperature[J].Journal of Mineralogy and Petrology,2012,32(2):115-120.[李武广,杨胜来,陈峰,等.温度对页岩吸附解吸的敏感性研究[J].矿物岩石,2012,32(2):115-120.]
[14]Zhang Zhiying,Yang Shengbo.On the adsorption and desorption trend of shale gas[J].Journal of Experimental Mechanics,2012,27(4):492-497.[张志英,杨胜波.页岩气吸附解吸规律研究[J].实验力学,2012,27(4):492-497.]
[15]Liu L,Nicholson D,Bhatia S K.Adsorption of CH4 and CH4/CO2 mixtures in carbon nanotubes and disordered carbons a molecular simulation study[J].Chemical Engineering Science,2015,121:268-278.
[16]Cao Wei,Lü Linghong,Huang Liangliang,et al.Molecular simulations on diameter effect of carbon nanotube for separation of CO2/CH4[J].CIESC Journal,2014,65(5):1736-1742.[曹伟,吕玲红,黄亮亮,等.不同管径碳纳米管中CO2/CH4分离的分子模拟[J].化工学报,2014,65(5):1736-1742.]
[17]He Shuai,Liu Honglin,Qin Guan.Molecular Dynamics Simulation on Modeling Shale Gas Transport and Storage Mechanisms in Complex Nano-Pore Structure in Organic Matters[C].The Unconventional Resources Technology Conference,San Antonio,Texas,USA,20-22 July 2015.
[18]Shuai H,Conrad J C,Guan Q.Molecular Dynamics Simulation of Natural gas Transport in Carbon Nano-Pore Structures[C].2014 AIChE Annual Meeting,Hilton Atlanta,USA,November 2014:16-21.
[19]Jarvie D M,Hill R J,Ruble T E,et al.Unconventional shale gas systems:The Mississippian Barnett Shale of north-central Texas as one model for thermogenic shale gas assessment[J].AAPG Bulletin,2007,91(4):475-499.
[20]Li Denghua,Li Jianzhong,Wang Shejiao,et al.Analysis of controls on gas shale reservoirs[J].Natural Gas Industry,2009,29(5):22-26.[李登华,李建忠,王社教,等.页岩气藏形成条件分析[J].天然气工业,2009,29(5):22-26.]
[21]Hou Yuguang,He Sheng,Yi Jizheng,et al.Effect of pore structure on methane sorption capacity of shales[J].Petroleum Exploration and Development,2014,41(2):248-256.[侯宇光,何生,易积正,等.页岩孔隙结构对甲烷吸附能力的影响[J].石油勘探与开发,2014,41(2):248-256.]
[22]Sun Weifeng,Gao Junguo,Guo Ning.Molecular dynamics simulation study of carbon nanotube/polyethylene nanocomposites[J].Acta Materiae Compositae Sinica,2014,31(2):286-294.[孙伟峰,高俊国,郭宁.碳纳米管/聚乙烯复合物分子动力学模拟研究[J].复合材料学报,2014,31(2):286-294.]
[23]Razavi S S,Hashemianzadeh S M,Karimi H.Modeling the adsorptive selectivity of carbon nanotubes for effective separation ofCO2/N2 mixtures[J].
Journal of Molecular Modeling,2011,17(5):1163-1172.
[24]Ye Qing,Zhang Yu,Li Ming,et al.Adsorption oflow concentration CO2 by modified carbon nanotubes under ambient temperature[J].Acta Physico-Chimica Sinica,2012,28(5):1223-1229.[叶青,张瑜,李茗,等.改性碳纳米管常温下吸附分离低浓度CO2[J].物理化学学报,2012,28(5):1223-1229.]
[25]Sun H.Compass:An ab-initio force field optimized for condensed-phase applications-overview with details on alkane and benzene compounds[J].Journal of Physical Chemistry B,1998,102(38):7338-7364.
[26]Sun H,Ren P,Fried J R.The compass force field:parameterization and validation for phosphazenes[J].Computational and Theoretical Polymer Science,1998,8(1/2):229-246.
[27]Lennard Jones J E.On the forces between atoms and ions[J].Proceedings of the  Royal  Society of London,1925,109(752):584-597.
[28]Li Xijian,Xu Hao.Feasibility analysis on MC simulation in coalbed methane adsorption and desorption[J].Coal Technology,2010,29(9):84-86.[李希建,徐浩.煤层甲烷吸附与解吸的MC模拟可行性分析[J].煤炭技术,2010,29(9):84-86.]
[29]Andersen H C.Molecular dynamics simulations at constant pressure and/or temperature[J].Journal Physical Chemistry,1980,72(4):2384-2393.
[30]Jiao Hongyan,Dong Mingzhe,Liu Zhongwei,et al.Molecular dynamics simulation of methane adsorption with presence of water on different wettability quartz surface[J].Journal of China University of Petroleum:Natural Science Edition,2014,38(5):178-183.[焦红岩,董明哲,刘仲伟,等.水环境下甲烷在不同润湿性石英表面吸附行为的分子动力学模拟[J].中国石油大学学报:自然科学版,2014,38(5):178-183.]
[31]Liu Bing,Shi Junqin,Shen Yue,et al.A molecular dynamics simulation of methane adsorption in graphite slit-pores[J].Computational Physics,2013,30(5):692-699.[刘冰,史俊勤,沈跃,等.石墨狭缝中甲烷吸附的分子动力学模拟[J].计算物理,2013,30(5):692-699.]
[32]Singer D A.Some suggested future directions of quantitative resources assessment[J].Journal of China University of Geosciences,2001,12(1):40-44.
[33]Leach A R.Molecular Modeling:Principle and Application[M].London:Addison Wesley Longman Limited,1996.
[34]Yu Qingsen,Zhulongguan.An Introduction to Molecular Design[M].Beijing:China Higher Education Press,2000.[俞庆森,朱龙观.分子设计导论[M].北京:高等教育出版社,2000.]
[35]Fu Xiancai,Shen Wenxia,Yao Tianyang.Physical Chemistry[M].Beijing:Higher Education Press,1993.[傅献彩,沈文霞,姚天扬.物理化学[M].北京:高等教育出版社,1993.]
[36]Li Xinjing,Hu Suyun,Cheng Keming．Suggestions from the development of fractured shale gas in north America[J].Petroleum Exploration and Development,2007,34(4):392-400.[李新景,胡素云,程克明.北美裂缝性页岩气勘探开发的启示[J].石油勘探与开发,2007,34(4):392-400.]
[37]Cao Bin,Gao Jinsen,Xu Chunming.The applications of molecular simulation technology in the fields of petroleum[J].Progress in Chemistry,2001,16(2):291-298.[曹斌,高金森,徐春明.分子模拟技术在石油相关领域的应用[J].化学进展,2001,16(2):291-298.]
[38]Jing Zhenhua.Molecular simulation technique and its applications in the study of metallocene catalysts for olefins[J].Acta Petrolei Sinica:Petroleum Processing Section,2005,21(3):39-46.[景振华.分子模拟技术在烯烃聚合茂金属催化剂研究中的应用[J].石油学报:石油加工,2005,21(3):39-46.]
[39]Lu Yigang,Peng Jianxin.Study of acoustical properties of supercritical carbon dioxide using liquid acoustical theory[J].Acta Physica Sinica,2008,57(2):1030-1036.[卢义刚,彭健新.运用液体声学理论研究超临界二氧化碳的声特性[J].物理学报,2008,57(2):1030-1036.]
[40]Zhang Xiaolei,Kang Yili.Influence factors analysis of shale methane diffusion coefficient[C]//The Chinese Mechanical Assembly-2013 Abstract Set.Xi’an,China,2013:154.[张晓磊,康毅力.页岩甲烷扩散系数影响因素分析[C]//中国力学大会—2013论文摘要集.西安,中国,2013:154.]