The sudden increase in the concentration of carbon dioxide (CO2) in the atmosphere due to the high dependency on fossil products has created the need for an urgent solution to …
J Lee, NR Aluru - Journal of membrane science, 2013 - Elsevier
We investigate separation of gas-mixtures using a graphene membrane. By introducing a water slab between a gas-mixture and the graphene membrane, we show that the gas …
This feature article discusses the current progress and the problems of applications of atomistic simulations to the understanding of the basic phenomena that govern molecule …
C Aguiar, I Camps - Surfaces and Interfaces, 2024 - Elsevier
This study examines boron-nitride nanobelts, including Möbius-type, for capturing and detecting nine greenhouse gases (ammonia, carbon dioxide, carbon monoxide, hydrogen …
Carbon nanostructures are promising materials to improve the performance of current gas separation membrane technologies. From the molecular modeling perspective, an accurate …
Layering phenomena of carbon dioxide transported through carbon nanotubes are investigated through molecular dynamics simulations. The layering formation is examined …
PH Huang - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
The separation of poisonous compounds from various process fluids has long been highly intractable, motivating the present study on the dynamic separation of H2S in acidic-gas …
D Mantzalis, N Asproulis, D Drikakis - … E—Statistical, Nonlinear, and Soft Matter …, 2011 - APS
Over the last few years, significant efforts have been devoted to exploring the capabilities of carbon based structures for gas separation and filtration. In the present study the layering …
PH Huang, SC Hung, MY Huang - Physical Chemistry Chemical …, 2014 - pubs.rsc.org
Formaldehyde exposure has been associated with several human cancers, including leukemia and nasopharyngeal carcinoma, motivating the present investigation on the …