Rapid screening of nanopore candidates in nanoporous single-layer graphene for selective separations using molecular visualization and interatomic potentials
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The energy-consumption by the chemical and petrochemical industry in the European Union (EU) accounts for about quarter of its energy footprint. Approximately half of this energy goes toward chemical separation, currently dominated by thermally-driven pro ...
Hydrodynamics at the nanoscale involves both fundamental study and application of fluid and mass transport phenomena in nanometer-sized confinements. Nanopores in single-layer graphene can be highly attractive for exploring the molecular transport of gas a ...
Using classical molecular dynamics simulations, we investigate the dielectric properties at interfaces of water with graphene, graphite, hexane, and water vapor. For graphite, we compare metallic and nonmetallic versions. At the vapor-liquid water and hexa ...
The work demonstrated in this thesis represent the path towards developing the large-scale fabrication of two-dimensional nanoporous membrane devices and use thereof as platforms to study nanoscale physics of water and ion flow through confined channels. M ...
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Gas separation is one of the most important industrial processes and is poised to take a larger role in the transition to renewable energy, e.g., carbon capture and hydrogen purification. Conventional gas separation processes involving cryogenic distillati ...
Nanoporous single-layer graphene (N-SLG) membranes, owing to their single-atom thinness, have the potential to exceed the permeance and selectivity limits of gas separation membranes. However, two key issues in the top-down N-SLG synthesis need to be addre ...
