論文

査読有り
2016年1月

Dynamic Behavior of Mesoscopic Concentration Fluctuations in an Aqueous Solution of 1-Propanol by 1MD Simulation

CHEMISTRY LETTERS
  • Masaya Ogawa
  • ,
  • Yoshiki Ishii
  • ,
  • Norikazu Ohtori

45
1
開始ページ
98
終了ページ
100
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1246/cl.150952
出版者・発行元
CHEMICAL SOC JAPAN

A simple and direct evaluation method for concentration fluctuation (CF), using molecular dynamics simulation, is presented and applied to Lennard Jones liquid mixtures and an aqueous solution of 1-propanol. The method is intuitive and straightforward, and the results are consistent with those based on the Kirkwood Buff integrals. It enables us to quantitatively and visually observe the time evolution of the mesoscopic CF.

リンク情報
DOI
https://doi.org/10.1246/cl.150952
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000367701000032&DestApp=WOS_CPL
ID情報
  • DOI : 10.1246/cl.150952
  • ISSN : 0366-7022
  • eISSN : 1348-0715
  • Web of Science ID : WOS:000367701000032

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