Adsorption of CO2/CH4 in shale organic nanoparticles:A molecular simulation study

DOI

10.2991/iceesd-18.2018.346How to use a DOI?

Keywords

Shale gas;Carbon dioxide;Adsorption;Molecular simulation

Abstract

Shale gas is a kind of unconventional gas,but it is difficult to exploit because of the low permeability and porosity of shale.In recent years,with the larger emission of CO2,how to use CO2 to enhanc shale gas recovery(CO2-ESGR)and sequestrate CO2 effectively is a topic of common concern.Besides the experiment and theory,Molecular simulation is another research method which can describe the competition adsorption law of CH4 and CO2 in a more profound and microscopic way.In the current work,molecular simulations have been carried out using a grand canonical Monte Carlo method and molecular dynamics method to study the competitive adsorption of CH4 and CO2 in the carbon-based slit pores of a given width.The burial depth,composition and other factors were studied,and the density distribution of CH4 and CO2 in the pore and the adsorption selectivity of CO2 over CH4 are also analyzed.The results indicated that adsorption amount of CO2 is almost constant,while CH4 sorption is increasingn with the increase of buried depth.Furthermore,under the same temperature and pressure,CO2 has a higher adsorption capacity and isosteric heat.In the case of ratio of CH4:CO2=1:1,there is a large proportion of CO2 in the pore wall.The CO2 of adsorbate state is parallel to the pore surface.The higher CO2 ratio,the larger selectivity of graphene for CO2 relative to CH4,which reflected the larger CO2 adsorption capacity.

Copyright

© 2018, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Dezan Fan
AU  - Jianfen Du
PY  - 2018/05
DA  - 2018/05
TI  - Adsorption of CO2/CH4 in shale organic nanoparticles:A molecular simulation study
BT  - Proceedings of the 2018 7th International Conference on Energy, Environment and Sustainable Development (ICEESD 2018)
PB  - Atlantis Press
SP  - 1948
EP  - 1954
SN  - 2352-5401
UR  - https://doi.org/10.2991/iceesd-18.2018.346
DO  - 10.2991/iceesd-18.2018.346
ID  - Fan2018/05
ER  -