Molecular dynamics simulation of hydrogen bonding in monoethanolamine

被引：29
|
作者：
Button, JK [1 ]
Gubbins, KE [1 ]
Tanaka, H [1 ]
Nakanishi, K [1 ]
机构：
[1] KYOTO UNIV, DEPT POLYMER CHEM, SAKYO KU, KYOTO 60601, JAPAN
来源：
FLUID PHASE EQUILIBRIA | 1996年 / 116卷 / 1-2期
关键词：
D O I：
10.1016/0378-3812(95)02902-8
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
We present the results of NVT molecular dynamics simulation for pure liquid monoethanolamine for several temperatures and densities corresponding to states of vapour-liquid equilibrium. We analyze radial distribution functions for information about hydrogen bonding.
引用
收藏
页码：320 / 325
页数：6
相关论文
共 50 条
  • [1] The molecular dynamics simulation of hydrogen bonding in supercritical water
    Yang, Xin
    Cheng, Ke
    Jia, Guo-zhu
    [J]. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 2019, 516 : 365 - 375
  • [2] Molecular dynamics simulation of natural gas sweetening by monoethanolamine
    Novin, Nima
    Shameli, Abolghasem
    Balali, Ebrahim
    [J]. EURASIAN CHEMICAL COMMUNICATIONS, 2020, 2 (05): : 619 - +
  • [3] A molecular dynamics simulation study of hydrogen bonding in aqueous ionic solutions
    Guàrdia, E
    Martí, J
    García-Tarrés, L
    Laria, D
    [J]. JOURNAL OF MOLECULAR LIQUIDS, 2005, 117 (1-3) : 63 - 67
  • [4] Influence of hydrogen bonding on polyleucine structure: A molecular dynamics simulation study
    Hanson, Ben
    Bedrov, Dmitry
    Smith, Grant D.
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 237
  • [5] DISCONTINUOUS MOLECULAR-DYNAMICS SIMULATION OF HYDROGEN-BONDING SYSTEMS
    LIU, JX
    BOWMAN, TL
    ELLIOTT, JR
    [J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1994, 33 (04) : 957 - 964
  • [6] Molecular Dynamics Simulation of Hydrogen Bonding Characteristics in Aqueous Glycerol Solutions
    Chen Cong
    Li Wei-Zhong
    [J]. ACTA PHYSICO-CHIMICA SINICA, 2009, 25 (03) : 507 - 512
  • [7] Hydrogen bonding analysis of glycerol aqueous solutions: A molecular dynamics simulation study
    Chen, Cong
    Li, Wei Zhong
    Song, Yong Chen
    Yang, Jian
    [J]. JOURNAL OF MOLECULAR LIQUIDS, 2009, 146 (1-2) : 23 - 28
  • [8] The effect of hydrogen bonding on oligoleucine structure in water: A molecular dynamics simulation study
    Hanson, Ben
    Bedrov, Dmitry
    Magda, Jules J.
    Smith, Grant D.
    [J]. EUROPEAN POLYMER JOURNAL, 2010, 46 (12) : 2310 - 2320
  • [9] Hydrogen bonding in a mixture of protic ionic liquids: a molecular dynamics simulation study
    Paschek, Dietmar
    Golub, Benjamin
    Ludwig, Ralf
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (13) : 8431 - 8440
  • [10] Hydrogen bonding structure and dynamics of water at the dimyristoylphosphatidylcholine lipid bilayer surface from a molecular dynamics simulation
    Lopez, CF
    Nielsen, SO
    Klein, ML
    Moore, PB
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (21): : 6603 - 6610
12345