Adsorption of CO2/CH4 in shale organic nanoparticles:A molecular simulation study
- https://doi.org/10.2991/iceesd-18.2018.346How to use a DOI?
- Shale gas;Carbon dioxide;Adsorption;Molecular simulation
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.
- © 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/).
Cite this article
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 - https://doi.org/10.2991/iceesd-18.2018.346 ID - Fan2018/05 ER -