特集 ユニークな分子の凝集構造 ～不均一性・階層性・多形性の立場から～
イオン間相互作用がイオン液体の液体構造や輸送物性に与える影響：
Ab initio分子軌道法，分子動力学法を用いた解析
2016 年 58 巻 1 号 p. 36-41
詳細
2016 年 58 巻 1 号 p. 36-41
Liquid structures and transport properties of ionic liquids are determined by the intermolecular interactions between ions. The ion dependence of the interactions between ions and self-diffusion coefficients of ions in ionic liquids was studied by ab initio molecular orbital calculations and molecular dynamics simulations. The relationship between the interaction between ions and the liquid structure and transport properties of ionic liquids were discussed.
