Nanopore wall-liquid interaction under scope of molecular dynamics study

Review

A. A. Tsukanov, S. G. Psakhie

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The present review is devoted to the analysis of recent molecular dynamics based on the numerical studies of molecular aspects of solid-fluid interaction in nanoscale channels. Nanopore wall-liquid interaction plays the crucial role in such processes as gas separation, water desalination, liquids decontamination, hydrocarbons and water transport in nano-fractured geological formations. Molecular dynamics simulation is one of the most suitable tools to study molecular level effects occurred in such multicomponent systems. The nanopores are classified by their geometry to four groups: nanopore in nanosheet, nanotube-like pore, slit-shaped nanopore and soft-matter nanopore. The review is focused on the functionalized nanopores in boron nitride nanosheets as novel selective membranes and on the slit-shaped nanopores formed by minerals.

Original languageEnglish
Title of host publicationProceedings of the International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017, AMHS 2017
PublisherAmerican Institute of Physics Inc.
Volume1909
ISBN (Electronic)9780735416017
DOIs
Publication statusPublished - 1 Dec 2017
EventInternational Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017, AMHS 2017 - Tomsk, Russian Federation
Duration: 9 Oct 201713 Oct 2017

Conference

ConferenceInternational Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017, AMHS 2017
CountryRussian Federation
CityTomsk
Period9.10.1713.10.17

Fingerprint

slits
fluid-solid interactions
molecular dynamics
decontamination
boron nitrides
liquids
water
nanotubes
hydrocarbons
minerals
interactions
membranes
porosity
geometry
gases
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Tsukanov, A. A., & Psakhie, S. G. (2017). Nanopore wall-liquid interaction under scope of molecular dynamics study: Review. In Proceedings of the International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017, AMHS 2017 (Vol. 1909). [020222] American Institute of Physics Inc.. https://doi.org/10.1063/1.5013903

Nanopore wall-liquid interaction under scope of molecular dynamics study : Review. / Tsukanov, A. A.; Psakhie, S. G.

Proceedings of the International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017, AMHS 2017. Vol. 1909 American Institute of Physics Inc., 2017. 020222.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Tsukanov, AA & Psakhie, SG 2017, Nanopore wall-liquid interaction under scope of molecular dynamics study: Review. in Proceedings of the International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017, AMHS 2017. vol. 1909, 020222, American Institute of Physics Inc., International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017, AMHS 2017, Tomsk, Russian Federation, 9.10.17. https://doi.org/10.1063/1.5013903
Tsukanov AA, Psakhie SG. Nanopore wall-liquid interaction under scope of molecular dynamics study: Review. In Proceedings of the International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017, AMHS 2017. Vol. 1909. American Institute of Physics Inc. 2017. 020222 https://doi.org/10.1063/1.5013903
Tsukanov, A. A. ; Psakhie, S. G. / Nanopore wall-liquid interaction under scope of molecular dynamics study : Review. Proceedings of the International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2017, AMHS 2017. Vol. 1909 American Institute of Physics Inc., 2017.
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