A theory for time-dependent solvation structure near solid-liquid interface.

• Iida, Kenji

• 佐藤, 啓文

抄録

We propose a theory to describe time-dependent solvation structure near solid-liquid interface. Recently, we have developed two-dimensional-reference interaction site model to describe solvation structure near solid-liquid interface at the equilibrium state. In the present study, the theory is extended to treat dynamical aspect of the solvation; site-site Smoluchowski-Vlasov equation and surrogate Hamiltonian description are utilized to deal with the time-dependency. This combination enables us to access a long-time behavior of solvation dynamics. We apply the theory to a model system consisting of an atomistic wall and water solvent, and discuss the hydration structure dynamics near the interface at the molecular-level.

収録刊行物

• The Journal of chemical physics

  The Journal of chemical physics 136 (24), 2012-06

  American Institute of Physics

キーワード

• solid-liquid transformations
• solutions
• solvation

詳細情報

• CRID: 1050001335737391872
• NII論文ID: 120004770251
• NII書誌ID: AA00694991
• ISSN: 10897690
• HANDLE: 2433/159727
• 本文言語コード: en
• 資料種別: journal article
• データソース種別:
  • IRDB
  • CiNii Articles