Mass transport characteristics of water/IPA at silica-liquid interfaces

Takeo Nakano, Shuichi Kosaka, Gota Kikugawa, Taku Ohara

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

Abstract

Molecular dynamics simulations were performed in order to investigate the impact of temperature on molecular structure and mass transport properties in the vicinity of silica-water and/or iso-propyl alcohol (IPA) liquid film interfaces. Each of water and IPA liquid molecules form layered structures in the vicinity of the solid. Although temperature has an insignificant effect on the first layer from the solid, the layered structure at higher temperature decays farther away from the second layer comparing with that at lower temperature for both silica-water and silica-IPA systems. Moreover, interfusion of water and IPA molecules between silica substrates was simulated and molecular coverage on the substrates are analyzed for temperatures of 300 K and 350 K.

Original languageEnglish
Title of host publicationASME 2013 11th International Conference on Nanochannels, Microchannels and Minichannels, ICNMM 2013
DOIs
Publication statusPublished - 2013 Dec 1
EventASME 2013 11th International Conference on Nanochannels, Microchannels and Minichannels, ICNMM 2013 - Sapporo, Japan
Duration: 2013 Jun 162013 Jun 19

Publication series

NameASME 2013 11th International Conference on Nanochannels, Microchannels and Minichannels, ICNMM 2013

Other

OtherASME 2013 11th International Conference on Nanochannels, Microchannels and Minichannels, ICNMM 2013
CountryJapan
CitySapporo
Period13/6/1613/6/19

ASJC Scopus subject areas

  • Fluid Flow and Transfer Processes
  • Process Chemistry and Technology
  • Modelling and Simulation

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