Enthalpies of mixing predicted using molecular dynamics simulations and OPLS force field
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy,General Chemical Engineering
Reference44 articles.
1. The influence of unlike molecule interaction parameters on liquid mixture excess properties
2. Excess Thermodynamics of Mixtures Involving Xenon and Light Linear Alkanes by Computer Simulation
3. Cyclohexane−Benzene Mixtures: Thermodynamics and Structure from Atomistic Simulations
4. Properties of 2,2,2-trifluoroethanol and water mixtures
5. Excess properties of aqueous mixtures of methanol: Simulation versus experiment
Cited by 20 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Effect of Isomeric Alcohols on the Thermophysical Properties of Cyano-Based Ionic Liquids: Experimental and Simulation Studies;Journal of Chemical & Engineering Data;2023-07-11
2. MD simulations explain the excess molar enthalpies in pseudo-binary mixtures of a choline chloride-based deep eutectic solvent with water or methanol;Frontiers in Chemistry;2022-11-14
3. Improving Force Field Accuracy by Training against Condensed-Phase Mixture Properties;Journal of Chemical Theory and Computation;2022-05-09
4. Molecular dynamics of dissolution of a 36-chain cellulose Iβ microfibril at different temperatures above the critical pressure of water;Journal of Molecular Liquids;2021-08
5. Theoretical and Experimental Study of the Excess Thermodynamic Properties of Highly Nonideal Liquid Mixtures of Butanol Isomers + DBE;The Journal of Physical Chemistry B;2021-01-11
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3