Molecular dynamics simulation for diffusion of organic molecules in polyethylene membranes

被引：0
|
作者：
Yue, Yajuan [1 ]
Liu, Qingzhi [2 ]
Wu, Lianying [1 ]
Hu, Yangdong [1 ]
机构：
[1] College of Chemistry and Chemical Engineering, Ocean University of China, Qingdao 266100, Shandong, China
[2] Chemistry and Pharmacy Science College, Qingdao Agricultural University, Qingdao 266109, Shandong, China
来源：
Huagong Xuebao/CIESC Journal | 2012年 / 63卷 / 01期
关键词：
Compendex;
D O I：
10.3969/j.issn.0438-1157.2012.01.015
中图分类号：
学科分类号：
摘要：
Molecular dynamics
引用
收藏
页码：109 / 113
相关论文
共 50 条
  • [21] Diffusion of water in swollen poly(vinyl alcohol) membranes studied by molecular dynamics simulation
    Muller-Plathe, F
    JOURNAL OF MEMBRANE SCIENCE, 1998, 141 (02) : 147 - 154
  • [22] Molecular Dynamics Simulation of the Corrosive Medium Diffusion Behavior Inhibited by the Corrosion Inhibitor Membranes
    Liu Lin-Fa
    Liu Jin-Xiang
    Zhang Jun
    You Long
    Yu Li-Jun
    Qiao Gui-Min
    CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2010, 31 (03): : 537 - 541
  • [23] MOLECULAR-DYNAMICS SIMULATION OF DIFFUSION OF SIMPLE GAS MOLECULES IN A SHORT CHAIN POLYMER
    TAKEUCHI, H
    OKAZAKI, K
    JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (09): : 5643 - 5652
  • [24] Molecular dynamics simulation study of the structure and diffusion of water molecules confined in carbon nanotubes
    Yang, Hai-Feng
    Li, Hai-Long
    Xiao, Ya-Mei
    Yang, Xiao-Feng
    Rengong Jingti Xuebao/Journal of Synthetic Crystals, 2014, 43 (12): : 3295 - 3300
  • [25] Effect of the hydrophilicity of the polymeric framework on the diffusion of isomeric molecules: Molecular dynamics simulation approach
    Le, Ngoc Nhi T.
    Lee, Seung Geol
    Jang, Seung Soon
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 239
  • [26] Molecular Dynamics Simulation of the Diffusion Behavior of Water Molecules in Oil and Cellulose Composite Media
    Liao Rui-Jin
    Zhu Meng-Zhao
    Zhou Xin
    Yang Li-Jun
    Yan Jia-Ming
    Sun Cai-Xin
    ACTA PHYSICO-CHIMICA SINICA, 2011, 27 (04) : 815 - 824
  • [27] Diffusion of CO2 Molecules in Polyethylene Terephthalate/Polylactide Blends Estimated by Molecular Dynamics Simulations
    Liao, Li-Qiong
    Fu, Yi-Zheng
    Liang, Xiao-Yan
    Mei, Lin-Yu
    Liu, Ya-Qing
    BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2013, 34 (03): : 753 - 758
  • [28] ESTIMATION OF DIFFUSION-COEFFICIENTS FOR CO2 IN POLYETHYLENE BY MOLECULAR-DYNAMICS SIMULATION
    TROHALAKI, S
    RIGBY, D
    KLOCZKOWSKI, A
    MARK, JE
    ROE, RJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1989, 198 : 65 - POLY
  • [29] Molecular dynamics simulation of unsteady diffusion
    Greber, I
    Sleeter, C
    Kandemir, I
    RAREFIED GAS DYNAMICS, 2001, 585 : 396 - 400
  • [30] CONFORMATIONAL DYNAMICS IN BULK POLYETHYLENE - A MOLECULAR-DYNAMICS SIMULATION
    BOYD, RH
    GEE, RH
    HAN, J
    JIN, Y
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 207 : 24 - POLY
12345