Molecular dynamics simulations of static and dynamic properties of water adsorbed in chabazite

被引:0
|
作者
Jost, S [1 ]
Fritzsche, S [1 ]
Haberlandt, R [1 ]
机构
[1] Univ Leipzig, Inst Theoret Phys, D-04109 Leipzig, Germany
来源
IMPACT OF ZEOLITES AND OTHER POROUS MATERIALS ON THE NEW TECHNOLOGIES AT THE BEGINNING OF THE NEW MILLENNIUM, PTS A AND B | 2002年 / 142卷
关键词
D O I
暂无
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:1947 / 1954
页数:8
相关论文
共 50 条
  • [31] Interfacial properties of hydrocarbon/water systems predicted by molecular dynamic simulations
    Naeiji, Parisa
    Woo, Tom K.
    Alavi, Saman
    Varaminian, Farshad
    Ohmura, Ryo
    JOURNAL OF CHEMICAL PHYSICS, 2019, 150 (11):
  • [32] PHYSICAL-PROPERTIES OF LIQUID WATER BY MOLECULAR-DYNAMICS SIMULATIONS
    HEYES, DM
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1994, 90 (20): : 3039 - 3049
  • [33] Molecular dynamics simulations of staphylococcal nuclease: Properties of water at the protein surface
    Smolin, N
    Winter, R
    JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (40): : 15928 - 15937
  • [34] Microstructure and diffusive properties of methanol and water mixtures by molecular dynamics simulations
    Hubei Key Laboratory of Novel Chemical Reactor and Green Chemical Technology, Wuhan Institute of Technology, Wuhan 430073, China
    不详
    Wuhan Ligong Daxue Xuebao, 2006, 7 (18-22):
  • [35] Thermodynamic properties of methane/water interface predicted by molecular dynamics simulations
    Sakamaki, Ryuji
    Sum, Amadeu K.
    Narumi, Tetsu
    Ohmura, Ryo
    Yasuoka, Kenji
    JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (14):
  • [36] Dynamics of water confined in lyotropic liquid crystals: Molecular dynamics simulations of the dynamic structure factor
    Mantha, Sriteja
    Yethiraj, Arun
    JOURNAL OF CHEMICAL PHYSICS, 2016, 144 (08):
  • [37] Molecular dynamics simulations of maltose in water
    Ott, KH
    Meyer, B
    CARBOHYDRATE RESEARCH, 1996, 281 (01) : 11 - 34
  • [38] Static and Dynamic Correlations in Water: Comparison of Classical Ab Initio Molecular Dynamics at Elevated Temperature with Path Integral Simulations at Ambient Temperature
    Li, Chenghan
    Paesani, Francesco
    Voth, Gregory A.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2022, 18 (04) : 2124 - 2131
  • [39] Structure and self-diffusion of water molecules in chabazite:: A molecular dynamics study
    Jost, Steffen
    Biswas, Parthapratim
    Schuering, Andreas
    Kaerger, Joerg
    Bopp, Philippe A.
    Haberlandt, Reinhold
    Fritzsche, Siegfried
    JOURNAL OF PHYSICAL CHEMISTRY C, 2007, 111 (40): : 14707 - 14712
  • [40] Molecular Dynamics Simulations on the Adsorbed Monolayers of N-Dodecyl Betaine at the Air-Water Interface
    Zhang, Chengfeng
    Cao, Lulu
    Jiang, Yongkang
    Huang, Zhiyao
    Liu, Guokui
    Wei, Yaoyao
    Xia, Qiying
    MOLECULES, 2023, 28 (14):