Abstract
This study probes the effect of pore geometry for separation of H2 and CH4 mixture using molecular dynamics.The effect of pore geometry on the permeation of gas is characterized by geometric factors such as minor axis, eccentricity and jaggedness of the pore. We study differences between equilibrium and non-equilibrium simulations. It is found that equilibrium simulations capture the effect of pore geometry less. We also study the role of inter molecular blocking in such gas mixtures. An elliptical pore 20 geometry with minor axis length of 5.67 Å is proposed as the best design for a highly H2 selective membrane.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.