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Discrete simulation of granular and particle-fluid flows: from fundamental study to engineering application 期刊论文
REVIEWS IN CHEMICAL ENGINEERING, 2017, 卷号: 33, 期号: 6, 页码: 551-623
作者:  Ge, Wei;  Wang, Limin;  Xu, Ji;  Chen, Feiguo;  Zhou, Guangzheng
收藏  |  浏览/下载:46/0  |  提交时间:2018/01/19
Insight of Transmembrane Processes of Self-Assembling Nanotubes Based on a Cyclic Peptide Using Coarse Grained Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2017, 卷号: 121, 期号: 38, 页码: 9006-9012
作者:  Fu, Yankai;  Yang, Tingxuan;  Xu, Xia
收藏  |  浏览/下载:18/0  |  提交时间:2017/11/27
Multiscale simulations for understanding the evolution and mechanism of hierarchical peptide self-assembly 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 35, 页码: 23614-23631
作者:  Yuan, Chengqian;  Li, Shukun;  Zou, Qianli;  Ren, Ying;  Yan, Xuehai
收藏  |  浏览/下载:12/0  |  提交时间:2017/11/27
Revealing the Initial Chemistry of Soot Nanoparticle Formation by ReaxFF Molecular Dynamics Simulations 期刊论文
ENERGY & FUELS, 2017, 卷号: 31, 期号: 8, 页码: 8434-8444
作者:  Han, Song;  Li, Xiaoxia;  Nie, Fengguang;  Zheng, Mo;  Liu, Xiaolong
收藏  |  浏览/下载:23/0  |  提交时间:2017/11/27
Ionic-Liquid-Based CO2 Capture Systems: Structure, Interaction and Process 期刊论文
CHEMICAL REVIEWS, 2017, 卷号: 117, 期号: 14, 页码: 9625-9673
作者:  Zeng, Shaojuan;  Zhang, Xianping;  Bai, Lu;  Zhang, Xiaochun;  Wang, Hui
收藏  |  浏览/下载:31/0  |  提交时间:2017/11/27
Simulation of the effect of coke deposition on the diffusion of methane in zeolite ZSM-5 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2017, 卷号: 320, 页码: 458-467
作者:  Li, Yanping;  Zhang, Chenglong;  Li, Chengxiang;  Liu, Zhicheng;  Ge, Wei
收藏  |  浏览/下载:20/0  |  提交时间:2017/07/10
Effects of water content on the dissolution behavior of wool keratin using 1-ethyl-3-methylimidazolium dimethylphosphate 期刊论文
SCIENCE CHINA-CHEMISTRY, 2017, 卷号: 60, 期号: 7, 页码: 934-941
作者:  Zhang, Zhenlei;  Zhang, Xiaochun;  Nie, Yi;  Wang, Hui;  Zheng, Shuangshuang
收藏  |  浏览/下载:11/0  |  提交时间:2017/08/14
Effect of small amount of water on the dynamics properties and microstructures of ionic liquids 期刊论文
AICHE JOURNAL, 2017, 卷号: 63, 期号: 6, 页码: 2248-2256
作者:  Zhou, Jing;  Liu, Xiaomin;  Zhang, Suojiang;  Zhang, Xiangping;  Yu, Guangren
收藏  |  浏览/下载:192/0  |  提交时间:2017/09/06
Molecular Dynamics Simulation of Ozonation of p-Nitrophenol at Room Temperature with ReaxFF Force Field 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2017, 卷号: 33, 期号: 7, 页码: 1399-1410
作者:  Wang Zi-Min;  Zheng Mo;  Xie Yong-Bing;  Li Xiao-Xia;  Zeng Ming
收藏  |  浏览/下载:32/0  |  提交时间:2017/08/14
Investigation of Overall Pyrolysis Stages for Liulin Bituminous Coal by Large-Scale ReaxFF Molecular Dynamics 期刊论文
ENERGY & FUELS, 2017, 卷号: 31, 期号: 4, 页码: 3675-3683
作者:  Zheng, Mo;  Li, Xiaoxia;  Nie, Fengguang;  Guo, Li
收藏  |  浏览/下载:16/0  |  提交时间:2017/09/06


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