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Thermostat effect on water transport dynamics across CNT membranes 期刊论文
MOLECULAR SIMULATION, 2020, 卷号: 46, 期号: 9, 页码: 699-705
Authors:  Tao, Jiabo;  Song, Xianyu;  Chen, Wei;  Zhao, Shuangliang;  Liu, Honglai
Favorite  |  View/Download:2/0  |  Submit date:2020/07/23
Water transport  CNT membrane  surface wettability  pore size distribution  nonequilibrium simulation  
Separation of 1-Butene and 2-Butene Isomers via Nanoporous Graphene: A Molecular Simulation Study 期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2020, 卷号: 59, 期号: 19, 页码: 9215-9222
Authors:  Xu, Yinxiang;  Zhu, Huajian;  Wang, Min;  Xu, Junbo;  Yang, Chao
Favorite  |  View/Download:5/0  |  Submit date:2020/07/10
Modification of glycerol force Field for simulating silver nucleation under a diffusion limited condition 期刊论文
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2020, 卷号: 592, 页码: 8
Authors:  Dou, Xiangyu;  Chen, Yongxiu;  Han, Yongsheng
Favorite  |  View/Download:7/0  |  Submit date:2020/05/21
Nucleation  Silver  Simulation  Glycerol  Force field  
Insight into the formation and permeability of ionic liquid unilamellar vesicles by molecular dynamics simulation 期刊论文
SOFT MATTER, 2020, 卷号: 16, 期号: 10, 页码: 2605-2610
Authors:  Jiang, Kun;  Liu, Xiaomin;  He, Hongyan;  Wang, Jianji;  Zhang, Suojiang
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The Effect of Concentration of Lithium Salt on the Structural and Transport Properties of Ionic Liquid-Based Electrolytes 期刊论文
FRONTIERS IN CHEMISTRY, 2020, 卷号: 7, 页码: 10
Authors:  Tong, Jiahuan;  Wu, Shengli;  von Solms, Nicolas;  Liang, Xiaodong;  Huo, Feng;  Zhou, Qing;  He, Hongyan;  Zhang, Suojiang
Favorite  |  View/Download:12/0  |  Submit date:2020/05/06
ionic liquids  electrolytes  battery  structure and property  MD simulations  
Polymerization of aluminate monomer in its initial nucleation stage of organic alkali solution revealed by ReaxFF molecular dynamics simulation 期刊论文
CHEMICAL PHYSICS LETTERS, 2020, 卷号: 739, 页码: 9
Authors:  Guo, Jianwei;  Liu, Shuangyi;  Wang, Zhi;  Cao, Jianwei;  Wang, Dong
Favorite  |  View/Download:21/0  |  Submit date:2020/03/24
Polymerization  Aluminate  Organic alkali  Initial nucleation stage  ReaxFF simulation  
The molecular mechanism of robust macrophage immune responses induced by PEGylated molybdenum disulfide 期刊论文
NANOSCALE, 2019, 卷号: 11, 期号: 46, 页码: 22293-22304
Authors:  Gu, Zonglin;  Chen, Serena H.;  Ding, Zhaowen;  Song, Wei;  Wei, Wei;  Liu, Shengtang;  Ma, Guanghui;  Zhou, Ruhong
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Record Atomistic Simulation of Crystalline Silicon: Bridging Microscale Structures and Macroscale Properties 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 页码: 8
Authors:  Hou, Chaofeng;  Zhang, Chenglong;  Ge, Wei;  Wang, Lei;  Han, Lin;  Pang, Jianmin
Favorite  |  View/Download:12/0  |  Submit date:2020/03/24
petascale  molecular dynamics  crystalline silicon  fastest simulation  high performance  SW26010  
Green chemical engineering in China 期刊论文
REVIEWS IN CHEMICAL ENGINEERING, 2019, 卷号: 35, 期号: 8, 页码: 995-1077
Authors:  Zhang, Xiangping;  Liu, Changjun;  Ren, Qilong;  Qiu, Xueqing;  Xu, Baohua;  Zhou, Xintong;  Xie, Yuanbang;  Lou, Hongming;  Ali, Mohammad Chand;  Gao, Hongshuai;  Bai, Yinge;  Zhang, Suojiang
Favorite  |  View/Download:28/0  |  Submit date:2020/03/24
bio-based materials/products  cold plasma  green chemical engineering  green solvent-mediated extraction  ionic liquids  
Ultralow Thermal Resistance across the Solid-Ionic Liquid Interface Caused by the Charge-Induced Ordered Ionic Layer 期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2019, 卷号: 58, 期号: 43, 页码: 20109-20115
Authors:  Qian, Cheng;  Ding, Bin;  Wu, Zhiwei;  Ding, Weilu;  Huo, Feng;  He, Hongyan;  Wei, Ning;  Wang, Yanlei;  Zhang, Xiangping
Favorite  |  View/Download:15/0  |  Submit date:2020/03/24