Equilibrium pressure of liquid confined in nanopores using molecular dynamics simulations

An Zou, Shalabh C. Maroo, Manish Gupta

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

1 Scopus citations

Abstract

Liquid in a confined environment or immediate vicinity of a surface is a ubiquitous phenomenon in natural and technological systems. In such circumstances, the intermolecular forces between the liquid and surface cannot be neglected, and therefore the thermodynamic properties of liquid can be significantly different from the bulk. Here we present an investigation of equilibrium pressure in hydrophilic nanopore connected to bulk using molecular dynamics simulations. With similar bulk pressure, negative pressure was observed in 2 nm pore while positive pressure equilibrated in 4 nm pore. Due to wall attraction, liquid atoms were layered near the wall inside the pore, which dominated the pore pressure, no matter if it was negative or positive.

Original languageEnglish (US)
Title of host publicationASME 2020 Heat Transfer Summer Conference, HT 2020, collocated with the ASME 2020 Fluids Engineering Division Summer Meeting and the ASME 2020 18th International Conference on Nanochannels, Microchannels, and Minichannels
PublisherAmerican Society of Mechanical Engineers (ASME)
ISBN (Electronic)9780791883709
DOIs
StatePublished - 2020
EventASME 2020 Heat Transfer Summer Conference, HT 2020, collocated with the ASME 2020 Fluids Engineering Division Summer Meeting and the ASME 2020 18th International Conference on Nanochannels, Microchannels, and Minichannels - Virtual, Online
Duration: Jul 13 2020Jul 15 2020

Publication series

NameASME 2020 Heat Transfer Summer Conference, HT 2020, collocated with the ASME 2020 Fluids Engineering Division Summer Meeting and the ASME 2020 18th International Conference on Nanochannels, Microchannels, and Minichannels

Conference

ConferenceASME 2020 Heat Transfer Summer Conference, HT 2020, collocated with the ASME 2020 Fluids Engineering Division Summer Meeting and the ASME 2020 18th International Conference on Nanochannels, Microchannels, and Minichannels
CityVirtual, Online
Period7/13/207/15/20

ASJC Scopus subject areas

  • Mechanical Engineering
  • Condensed Matter Physics

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