論文

査読有り
2000年10月

Solidification of Lennard-Jones fluid in cylindrical nanopores and its geometrical hindrance effect: A Monte Carlo study

LANGMUIR
  • H Kanda
  • ,
  • M Miyahara
  • ,
  • K Higashitani

16
22
開始ページ
8529
終了ページ
8535
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1021/la991659p
出版者・発行元
AMER CHEMICAL SOC

Grand canonical Monte Carlo (GCMC) simulations have been conducted to investigate freezing phenomena of Lennard-Jones (LJ) methane confined in cylindrical nanopores of reduced pore diameter ranging from 4.5 to 9.5 with saturated vapor as equilibrium bulk condition. The arrangement of the LJ particles in frozen state is found to form a hexagonal array within each concentric circular layer. Nonmonotonic dependence of freezing point against pore diameter, which is observed in strongly attractive pore made of carbon, is interpreted as a result of competition between "geometrical hindrance effect" of a wall's shape and "compression effect" of a wall's attractive potential. Geometrical hindrance effect, which originates from excess energy of "cylindrical frozen state" relative to the fee lattice state,;is clarified to become stronger for smaller pore size. The latent heat is also smaller for smaller pore size. We model the shift of freezing point in cylindrical pore considering the "geometrical hindrance effect," and its reliability is verified successfully through comparison with the GCMC results.

リンク情報
DOI
https://doi.org/10.1021/la991659p
J-GLOBAL
https://jglobal.jst.go.jp/detail?JGLOBAL_ID=200902119381645273
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000090100600044&DestApp=WOS_CPL
ID情報
  • DOI : 10.1021/la991659p
  • ISSN : 0743-7463
  • J-Global ID : 200902119381645273
  • Web of Science ID : WOS:000090100600044

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