A state-of-the-art theoretical method for estimating ultrasonic velocity in ionic liquid mixtures: An extension of McAllister's interaction model

Computational and Theoretical Chemistry(2024)

引用 0|浏览0
暂无评分
摘要
•McAllister’s Interaction Model(MAIM) is extended, for the first time, from four-body to nine-body interactions among binary mixtures of ionic liquids and water.•It has also been tested to predict the ultrasonic velocity in eight binary mixtures at different compositions and temperatures.•Extended MAIM for nine-body interactions has shown excellent agreement with the experimental value of ultrasonic velocity for all the mixtures.•Extended Huckel theory has been employed to compute the charge distribution to identify active sites for interaction.
更多
查看译文
关键词
McAllister’s interaction model,Ionic liquid mixtures,Research development,Industry,Sustainable development
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要