Evidence of Facilitated Transport in Crowded Nanopores.

ABSTRACT: Fluid transport in nature often occurs through crowded nanopores, where a number of phenomena can affect it, because of fluid-fluid and fluid-solid interactions, as well as the presence of organic compounds filling the pores and their structural fluctuations. Employing molecular dynamics, we probe here the transport of fluid mixtures (CO2-CH4 and H2S-CH4) through silica nanopores filled with benzene. Both CO2 and H2S are strongly adsorbed within the organic-filled pore, partially displacing benzene. Unexpectedly, CO2/H2S adsorption facilitates CH4 transport. Analysis of the trajectories suggests that both CO2 and H2S act as vehicle-like carriers and might swell benzene, generating preferential transport pathways within the crowded pore. The results are useful for identifying unexpected tra

SUBMITTER: Phan A 

PROVIDER: S-EPMC7145346 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature