Hydrogen bond lifetime in supercritical water

被引：6
|
作者：
Petrenko, V. E. [1 ]
Antipova, M. L. [1 ]
机构：
[1] RAS, Inst Solut Chem, Ivanovo, Russia
来源：
STRUCTURAL CHEMISTRY | 2011年 / 22卷 / 02期
基金：
俄罗斯基础研究基金会;
关键词：
Supercritical water; Hydrogen bond; Computer simulation; Intermolecular interactions; MOLECULAR-DYNAMICS; DIELECTRIC-RELAXATION; COMPUTER-SIMULATIONS; NEUTRON-DIFFRACTION; LIQUID WATER; HEAVY-WATER; TEMPERATURES; NETWORK; FLUID; SPECTROSCOPY;
D O I：
10.1007/s11224-011-9768-1
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Molecular dynamics simulations of water were performed in a wide range of supercritical temperatures and pressures with using TIP4P-HB model potential. The effect of state parameters on microdynamics of hydrogen bonds was studied. Isobaric (P = 30, 50, 80, 100 MPa) and isothermal (T = 673 K) dependencies of average hydrogen bond lifetime were calculated.
引用
收藏
页码：471 / 474
页数：4
相关论文
共 50 条
  • [21] Hydrogen bond interactions in liquid and supercritical hydrofluorocarbons
    Abbott, AP
    Corr, S
    Durling, NE
    Hope, EG
    JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (38): : 10628 - 10633
  • [22] Lifetime of a hydrogen bond in aqueous solutions of carbohydrates
    Astley, T
    Birch, GG
    Drew, MGB
    Rodger, PM
    JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (26): : 5080 - 5090
  • [23] Hydrogen bond and lifetime dynamics in diluted alcohols
    Salamatova, Evgeniia
    Cunha, Ana V.
    Shinokita, Keisuke
    Jansen, Thomas L. C.
    Pshenichnikov, Maxim S.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (41) : 27960 - 27967
  • [24] Supercritical Water is not Hydrogen Bonded
    Schienbein, Philipp
    Marx, Dominik
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2020, 59 (42) : 18578 - 18585
  • [25] Are there hydrogen bonds in supercritical water?
    Hoffmann, MM
    Conradi, MS
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (16) : 3811 - 3817
  • [26] Hydrogen bond driven chemical reactions:: Beckmann rearrangement of cyclohexanone oxime into ε-caprolactam in supercritical water
    Boero, M
    Ikeshoji, T
    Liew, CC
    Terakura, K
    Parrinello, M
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (20) : 6280 - 6286
  • [27] Hydrogen bond lifetime dynamics at the interface of a surfactant monolayer
    Chanda, Jnanojjal
    Bandyopadhyay, Sanjoy
    JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (46): : 23443 - 23449
  • [28] Thermophysical properties of supercritical water and bond flexibility
    Shvab, I.
    Sadus, Richard J.
    PHYSICAL REVIEW E, 2015, 92 (01):
  • [29] Conversion of polyethylene to oil using supercritical water and donation of hydrogen in supercritical water
    Moriya, T
    Enomoto, H
    KOBUNSHI RONBUNSHU, 2001, 58 (12) : 661 - 673
  • [30] THE STRENGTH OF THE HYDROGEN BOND IN WATER
    SEARCY, AW
    JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (02): : 210 - 211
12345