Confinement Effects on the Properties of Polar Hydrogen-Bonded Fluids: A Showcase on Methanol Adsorbed in Three-Dimensional Pillared Graphene and Carbon Nanotube Networks.

Ioannis Skarmoutsos,Emmanuel N. Koukaras,George E. Froudakis,Guillaume Maurin,Emmanuel Klontzas

Confinement Effects on the Properties of Polar Hydrogen-Bonded Fluids: A Showcase on Methanol Adsorbed in Three-Dimensional Pillared Graphene and Carbon Nanotube Networks.

2020

Ioannis Skarmoutsos
Emmanuel N. Koukaras
George E. Froudakis
Guillaume Maurin
Emmanuel Klontzas

The confinement effects on the structural and dynamic properties of methanol were investigated by employing Monte Carlo and Molecular Dynamics simulations using three-dimensional pillared graphene ...

Keywords:

Molecular dynamics
Graphene
Chemical engineering
Monte Carlo method
Adsorption
Carbon nanotube
Hydrogen
Materials science
Methanol
Polar

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