Molecular Simulations of Adsorption and Transport of Water through Nanoporous Carbons
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Computational and Theoretical Chemistry".
Deadline for manuscript submissions: closed (20 February 2016)
Special Issue Editors
Interests: nanofluidics; mass transport at the nanoscale; carbon nanotubes; membranes
Interests: molecular simulation of fluids; equations of state; SAFT; adsorption and interfacial properties; crude oils & shales; machine learning in physical property prediction
Special Issue Information
Dear Colleagues,
The excitement generated in the simulation community by recent reports on the fabrication of ultrathin graphene membranes with unusual water transport and filtration behavior builds upon almost two decades of research on adsorption and transport of water in carbon nanotubes. The significant challenges associated with experimental probing of complex transport phenomena under nanoscale confinement in nanoporous materials shows the need for the application of molecular simulations to these problems, not only shedding light on the physical mechanisms occurring in these materials, but also offering guidance to experimentalists to provide independent confirmation. This Special Issue focuses on the recent advances and challenges faced in the molecular modelling of the adsorption and transport properties of water in nanoconfined carbon structures.
Prof. Dr. Erich A. Müller
Dr. Davide Mattia
Guest Editors
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Keywords
- molecular simulation
- water
- carbon
- adsorption
- transport
- diffusion
- pores
- confined fluids
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