Parametrizing hydrogen bond interactions in dissipative particle dynamics simulations: The case of water, methanol and their binary mixtures

被引：0
|
作者：
Kacar, Gokhan [1 ]
de With, Gijsbertus [2 ]
机构：
[1] Kacar, Gokhan
[2] de With, Gijsbertus
来源：
Kacar, Gokhan (gokhankacar@trakya.edu.tr) | 1600年 / Elsevier B.V., Netherlands卷 / 302期
关键词：
Methanol;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [31] Understanding the Interactions between Triolein and Cosolvent Binary Mixtures Using Molecular Dynamics Simulations
    Nyepetsi, Maipelo
    Mbaiwa, Foster
    Oyetunji, Olayinka A.
    de Leeuw, Nora H.
    ACS OMEGA, 2022, 7 (12): : 10212 - 10224
  • [32] Molecular dynamics simulations of binary mixtures of methane and hydrogen in zeolite A and a novel zinc phosphate
    Mitchell, MC
    Autry, JD
    Nenoff, TM
    MOLECULAR PHYSICS, 2001, 99 (22) : 1831 - 1837
  • [33] MOLECULAR-DYNAMICS IN HYDROGEN-BOND FORMING ENVIRONMENTS - THE ROLE OF HYDROPHILIC HYDROPHOBIC INTERACTIONS IN PYRIDINE WATER MIXTURES
    PARBHOO, B
    NAGY, OB
    JOURNAL OF MOLECULAR STRUCTURE, 1988, 177 : 393 - 399
  • [34] Hydrogen Bond Dynamics of Water-Acetone Mixtures Studied by The Complex Permittivity
    Yan, Tang Hai
    ASIAN JOURNAL OF CHEMISTRY, 2012, 24 (08) : 3465 - 3467
  • [35] Dielectric spectroscopy of hydrogen bond dynamics and microheterogenity of water plus dioxane mixtures
    Schroedle, Simon
    Hefter, Glenn
    Buchner, Richard
    JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (21): : 5946 - 5955
  • [36] Dissipative particle dynamics to study asphaltenes and surfactants interactions at the oil-water interface
    Jiang, Hui
    Liu, Xiaoyan
    Liang, Chonghao
    Wang, Zhizhuang
    Jia, Yongying
    JOURNAL OF MOLECULAR LIQUIDS, 2023, 381
  • [37] Near-infrared spectral studies of hydrogen-bond in water-methanol mixtures
    Yuan, B
    Dou, XM
    SPECTROSCOPY AND SPECTRAL ANALYSIS, 2004, 24 (11) : 1319 - 1322
  • [38] STRUCTURE AND DYNAMICS OF THE HYDROGEN-BOND NETWORK IN WATER BY COMPUTER-SIMULATIONS
    GEIGER, A
    MAUSBACH, P
    SCHNITKER, J
    BLUMBERG, RL
    STANLEY, HE
    JOURNAL DE PHYSIQUE, 1984, 45 (NC-7): : 13 - 30
  • [39] On the hydrogen bond networks in the water-methanol mixtures: topology, percolation and small-world
    Batista da Silva, Juliana Angeiras
    Brady Moreira, Francisco George
    Leite dos Santos, Vivianni Marques
    Longo, Ricardo Luiz
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (14) : 6452 - 6461
  • [40] Characterization of conductivity relaxation processes induced by charge dynamics and hydrogen-bond molecular interactions in binary mixtures of propylene carbonate with acetonitrile
    Choudhary, Shobhna
    Dhatarwal, Priyanka
    Sengwa, Ram Jeewan
    JOURNAL OF MOLECULAR LIQUIDS, 2017, 231 : 491 - 498
12345