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
  • [21] Graphene Exfoliation in Binary NMP/Water Mixtures by Molecular Dynamics Simulations
    Gotzias, A.
    Lazarou, Y. G.
    CHEMPLUSCHEM, 2024, 89 (06):
  • [22] Hydrogen bond interactions in the binary solutions of formamide with methanol: FTIR spectroscopic and theoretical studies
    Kannan, P. P.
    Karthick, N. K.
    Arivazhagan, G.
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2020, 229
  • [23] Modeling dynamics of Polyacrylamide Gel in Oil-Water Mixtures: Dissipative Particle Dynamics Approach
    Choudhury, Chandan K.
    Kuksenok, Olga
    MRS ADVANCES, 2018, 3 (26): : 1469 - 1474
  • [24] Modeling dynamics of Polyacrylamide Gel in Oil-Water Mixtures: Dissipative Particle Dynamics Approach
    Chandan K Choudhury
    Olga Kuksenok
    MRS Advances, 2018, 3 (26) : 1469 - 1474
  • [25] A practical method to avoid bond crossing in two-dimensional dissipative particle dynamics simulations
    Liu, Hong
    Xue, Yao-Hong
    Qian, Hu-Jun
    Lu, Zhong-Yuan
    Sun, Chia-Chung
    JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (02):
  • [26] Dissipative particle dynamics study of phase separation in binary fluid mixtures in periodic and confined domains
    Gidituri, Harinadha
    Anand, D. Vijay
    Vedantam, Srikanth
    Panchagnula, Mahesh V.
    JOURNAL OF CHEMICAL PHYSICS, 2017, 147 (07):
  • [27] Hydrogen bond dynamics in heavy water studied with quantum dynamical simulations
    Paesani, Francesco
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (44) : 19865 - 19875
  • [28] Hydrogen bond lifetimes in supercritical methanol-water mixtures via MD simulation
    Ono, Takumi
    Ota, Masaki
    Sato, Yoshiyuki
    Inomata, Hiroshi
    MOLECULAR PHYSICS, 2016, 114 (20) : 2974 - 2982
  • [29] Charge Environment and Hydrogen Bond Dynamics in Binary Ionic Liquid Mixtures: A Computational Study
    Avula, Nikhil V. S.
    Mondal, Anirban
    Balasubramanian, Sundaram
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 9 (12): : 3511 - 3516
  • [30] Vibrational echo correlation spectroscopy probes of hydrogen bond dynamics in water and methanol
    Asbury, JB
    Steinel, T
    Fayer, MD
    JOURNAL OF LUMINESCENCE, 2004, 107 (1-4) : 271 - 286