Post-combustion carbon dioxide capture: Evolution towards utilization of nanomaterials

ZH Lee, KT Lee, S Bhatia, AR Mohamed - Renewable and Sustainable …, 2012 - Elsevier
Carbon dioxide (CO2) is not the gas that gives the most severe global warming impact
among the greenhouse gases (GHGs). However, its highest annual emission into the …

Prospect of Post-Combustion Carbon Capture Technology and Its Impact on the Circular Economy

AG Olabi, T Wilberforce, ET Sayed, N Shehata… - Energies, 2022 - mdpi.com
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 …

Water-solubility-driven separation of gases using graphene membrane

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 …

Atomistic molecular dynamics simulations reveal insights into adsorption, packing, and fluxes of molecules with carbon nanotubes

M Calvaresi, F Zerbetto - Journal of Materials Chemistry A, 2014 - pubs.rsc.org
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 …

Exploring the potential of boron-nitride nanobelts in environmental applications: Greenhouse gases capture

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 …

Revisiting greenhouse gases adsorption in carbon nanostructures: advances through a combined first-principles and molecular simulation approach

HM Cezar, TD Lanna, DA Damasceno, A Kirch… - Applied Surface …, 2024 - Elsevier
Carbon nanostructures are promising materials to improve the performance of current gas
separation membrane technologies. From the molecular modeling perspective, an accurate …

Filtering carbon dioxide through carbon nanotubes

D Mantzalis, N Asproulis, D Drikakis - Chemical Physics Letters, 2011 - Elsevier
Layering phenomena of carbon dioxide transported through carbon nanotubes are
investigated through molecular dynamics simulations. The layering formation is examined …

Molecular dynamics investigation of separation of hydrogen sulfide from acidic gas mixtures inside metal-doped graphite micropores

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 …

Enhanced carbon dioxide adsorption through carbon nanoscrolls

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 …

Molecular dynamics investigations of liquid–vapor interaction and adsorption of formaldehyde, oxocarbons, and water in graphitic slit pores

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 …