CAS OpenIR

Browse/Search Results:  1-10 of 19 Help

Selected(0)Clear Items/Page:    Sort:
Unilamellar Vesicle Formation and Microscopic Structure of Ionic Liquids in Aqueous Solutions 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 卷号: 120, 期号: 1, 页码: 659-667
Authors:  Liu, Xiaomin;  Zhou, Guohui;  Huo, Feng;  Wang, Jianji;  Zhang, Suojiang
Adobe PDF(3839Kb)  |  Favorite  |  View/Download:83/0  |  Submit date:2016/04/14
Rodlike Micelle Structure and Formation of Ionic liquid in Aqueous Solution by Molecular Simulation 期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2015, 卷号: 54, 期号: 5, 页码: 1681-1688
Authors:  Liu, Xiaomin;  Zhou, Guohui;  He, Hongyan;  Zhang, Xiaochun;  Wang, Jianji;  Zhang, Suojiang
Adobe PDF(4064Kb)  |  Favorite  |  View/Download:120/0  |  Submit date:2015/04/01
Chain-length  Spatial Heterogeneity  Force-field  Dynamics  Water  Hexafluorophosphate  Aggregation  Mixtures  Behavior  Atom  
All-atom and united-atom simulations of guanidinium-based ionic liquids 期刊论文
SCIENCE CHINA-CHEMISTRY, 2012, 卷号: 55, 期号: 8, 页码: 1573-1579
Authors:  Liu XiaoMin;  Zhang XiaoChun;  Zhou GuoHui;  Yao XiaoQian;  Zhang SuoJiang
Adobe PDF(992Kb)  |  Favorite  |  View/Download:156/0  |  Submit date:2013/11/28
All-atom Force Field  United-atom Force Field  Molecular Simulation  Ionic Liquids  
Microstructures and Interaction Analyses of Phosphonium-Based Ionic Liquids: A Simulation Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 卷号: 116, 期号: 16, 页码: 4934-4942
Authors:  Liu, Xiaomin;  Zhao, Yuling;  Zhang, Xiaochun;  Zhou, Guohui;  Zhang, Suojiang;  Zhang, SJ
Adobe PDF(1509Kb)  |  Favorite  |  View/Download:101/3  |  Submit date:2013/10/21
Molecular-force Field  Temperature Molten-salts  Dynamics Simulation  Transport-properties  Conformational Energies  Resp Methodology  Imidazolium  Chloride  Cations  Anions  
Vaporization Enthalpy and Cluster Species in Gas Phase of 1,1,3,3-Tetramethylguanidinium-Based Ionic Liquids from Computer Simulations 期刊论文
AICHE JOURNAL, 2011, 卷号: 57, 期号: 2, 页码: 507-516
Authors:  Yu, Guangren;  Chen, Xiaochun;  Asumana, Charles;  Zhang, Suojiang;  Liu, Xiaomin;  Zhou, Guohui;  Chen, XC
Adobe PDF(1181Kb)  |  Favorite  |  View/Download:157/1  |  Submit date:2013/11/08
Ionic Liquids  Vaporization Enthalpy  Gas Phase Ion Cluster  Molecular Dynamics Simulation  Ab Initio Calculation  
Molecular Dynamics Simulation of Desulfurization by Ionic Liquids 期刊论文
AICHE JOURNAL, 2010, 卷号: 56, 期号: 11, 页码: 2983-2996
Authors:  Liu, Xiaomin;  Zhou, Guohui;  Zhang, Xiangping;  Zhang, Suojiang;  Zhang, SJ
Adobe PDF(464Kb)  |  Favorite  |  View/Download:116/0  |  Submit date:2013/11/12
Ionic Liquids  Molecular Dynamics  Desulphurization  Extractant  
Molecular simulations of phosphonium-based ionic liquid 期刊论文
MOLECULAR SIMULATION, 2010, 卷号: 36, 期号: 1, 页码: 79-86
Authors:  Liu, Xiaomin;  Zhou, Guohui;  Zhang, Suojiang;  Yu, Guangren;  Zhang, SJ
Adobe PDF(264Kb)  |  Favorite  |  View/Download:100/0  |  Submit date:2013/11/28
Molecular Dynamics Simulation  Ionic Liquid  Force Field  
Molecular simulation of imidazolium amino acid-based ionic liquids 期刊论文
MOLECULAR SIMULATION, 2010, 卷号: 36, 期号: 14, 页码: 1123-1130
Authors:  Liu, Xiaomin;  Zhou, Guohui;  Zhang, Suojiang;  Wu, Guangwen;  Zhang, SJ
Adobe PDF(594Kb)  |  Favorite  |  View/Download:91/0  |  Submit date:2013/11/28
Molecular Dynamics Simulation  Amino Acid  Ionic Liquid  
Molecular dynamics simulation of dual amino-functionalized imidazolium-based ionic liquids 期刊论文
FLUID PHASE EQUILIBRIA, 2009, 卷号: 284, 期号: 1, 页码: 44-49
Authors:  Liu, Xiaomin;  Zhou, Guohui;  Zhang, Suojiang;  Yao, Xiaoqian;  Zhang, SJ
Adobe PDF(739Kb)  |  Favorite  |  View/Download:105/0  |  Submit date:2013/11/29
Molecular Dynamics Simulations  Dual Amino-functionalized  Imidazolium-based Ionic Liquids  
Structural Evidence for the Ordered Crystallites of Ionic Liquid in Confined Carbon Nanotubes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2009, 卷号: 113, 期号: 23, 页码: 10013-10020
Authors:  Dong, Kun;  Zhou, Guohui;  Liu, Xiaomin;  Yao, Xiaoqian;  Zhang, Suojiang;  Lyubartsev, Alexander;  Zhang, SJ
Adobe PDF(4018Kb)  |  Favorite  |  View/Download:120/0  |  Submit date:2013/12/09
Molecular-dynamics Simulation  Room-temperature  1-n-butyl-3-methylimidazolium Hexafluorophosphate  Ice Nanotubes  Free-energy  Transport  Mixtures  Solvents  Methane  Potentials