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天然气地球科学

• 非常规天然气 • 上一篇    下一篇

有机质纳米孔隙吸附页岩气的分子模拟

张廷山1,2，何映颉1,2，杨洋1,2，伍坤宇1,3   

  1. 1.西南石油大学油气藏地质与开发工程国家重点实验室，四川 成都 610500；
    2.西南石油大学地球科学与技术学院，四川 成都 610500；
    3.青海油田勘探开发研究院，甘肃 敦煌 736202
  • 收稿日期:2016-06-15 修回日期:2016-07-30 出版日期:2017-01-10 发布日期:2017-01-10
  • 作者简介:张廷山（1961-），男，贵州贵阳人，教授，博士，博士生导师，主要从事非常规油气资源评价的研究与教学. E-mail：zts_3@126.com.
  • 基金资助:

    国家自然科学青年基金（编号：41302123）；博士学科点专项科研基金（编号：20125121130001）联合资助.

Molecular simulation of shale gas adsorption in organic-matter nanopores

Zhang Ting-shan1,2，He Ying-jie1,2，Yang Yang1,2，Wu Kun-yu1,3   

  1. 1.State Key Lab of  Oil & Gas Reservoir Geology and Exploitation Engineering,Southwest Petroleum University,Chengdu 610500,China;
    2.School of Resources and Environment,Southwest Petroleum University,Chengdu  610500,China;
    3.Institute of Exploration and Development,Qinghai Oilfield Company,CNPC,Dunhuang 736202,China
  • Received:2016-06-15 Revised:2016-07-30 Online:2017-01-10 Published:2017-01-10

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摘要：

页岩气是一种资源潜力巨大的非常规油气，随着页岩气勘探规模的不断扩大，对页岩气的认识也不断深入。为进一步研究页岩有机质纳米孔隙对CH4的吸附作用及微观机理，更好地认识页岩气的赋存形式，利用分子模拟软件Material Studio搭建碳纳米管模型表征有机质纳米孔隙，运用蒙特卡洛方法、分子力学、分子动力学方法模拟四川盆地及其周缘早古生代（筇竹寺组、五峰组及龙马溪组）页岩气普遍埋深2~4km条件下，有机质孔隙对CH4、CO2的吸附、扩散行为。研究表明，有机质孔隙对CH4、CO2的吸附为物理吸附，埋深2km为页岩气最优储存埋深；其混合吸附的数据显示，注入CO2置换CH4开采页岩气具有合理性和可行性，埋深约4km时效果较为理想；CH4与CO2沿孔隙内壁法线方向的相对密度呈对称分布趋势，并出现明显的吸附分层现象，且第二聚集层及第三聚集层的形成很可能主要受到压力的影响。整体上，随温压的增加，CH4与CO2沿Z方向的相对密度呈较小的下降趋势；而CH4及CO2的自扩散系数随埋深的增加而增大，与吸附热及吸附量的变化原因一致。

关键词: 有机质孔隙, 吸附, 扩散, 碳纳米管, 分子模拟, 页岩气

Abstract:

Shale gas is a kind of unconventional oil-gas resource with tremendous potential.For thorough understanding of the methane adsorption and micromechanism in organic-matter nanopores of the shale and better acquaintances of the occurrence form,graphite slit-pores were set up as a representation of organic-matter nanopores by using Material Studio,and the grand canonical Monte Carlo method,molecular mechanics and molecular dynamics were used for the simulation of adsorption and diffusion behaviors in organic-matter pores on CH4 and CO2 at the shale gas common burial depth of 2-4km in the Upper Yangtze Plate.The results indicated that the adsorptions of CH4 and CO2 were physical and the optimal storage depth was 2km;The mixed adsorption data showed the rationality of exploit shale gas by injecting CO2to exchange CH4,and the optimal burial depth was 4km;The relative density of CH4 and CO2 along the normal direction of the pore inwall showed a trend of symmetric distribution and apparent adsorption stratifications appeared.As a whole,the self-diffusion coefficient of CH4 and CO2 increased with the increase of burial depth,and it's consistent with the reasons for such changes of adsorption amount and adsorption heat.

Key words: Organic-matter pores, Adsorption, Diffusion, Carbon nanotube, Molecular simulation, Shale gas

中图分类号: 

  • TE132.2

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