Jump to Main Content
- Shen, Yan; Abedin, Rubaiyet; Hung, Francisco R.
- Langmuir 2019 v.35 no.10 pp. 3658-3671
- adsorption; carbon dioxide; choline; diffusivity; ethylene glycol; graphene; ionic liquids; levulinic acid; methane; molecular dynamics; nanopores; permeability; simulation models; solubility; temperature; titanium dioxide
- ... Classical molecular dynamics simulations were used to investigate the performance of slit graphite and titania (rutile) pores of 5.2 nm in width, partially and completely filled with deep eutectic solvents (DESs) or ionic liquids (ILs), for gas separations of a carbon dioxide–methane mixture of 5:95 molar ratio and temperatures and pressures on the order of 318 K and 100 bar, respectively. The DES ...