Molecular dynamics simulation of thermodynamic properties of NaC1 at high pressures and temperatures

被引：15
|
作者：
Chen, QF
Cai, LC
Duan, SQ
Chen, DQ
机构：
[1] Inst Fluid Phys, Lab Shock Wave & Detonat Phys Res, Mianyang 621900, Sichuang, Peoples R China
[2] Inst Appl Phys & Computat Math, Lab Computat Phys, Beijing 100088, Peoples R China
来源：
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 2004年 / 65卷 / 06期
关键词：
D O I：
10.1016/j.jpcs.2003.11.037
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The expansivity, constant-pressure heat capacity, and isothermal bulk modulus of sodium chloride (NaCl) have been obtained by using molecular dynamics method. The calculated thermodynamic parameters are found to be in agreement with the available experimental data. At an extended temperature and pressure ranges, these parameters have also been predicted. The thermodynamic properties of NaCl are summarized in the pressure 0-500 kbar ranges and the temperature up to 1000 K. (C) 2003 Elsevier Ltd. All rights reserved.
引用
收藏
页码：1077 / 1081
页数：5
相关论文
共 50 条
  • [21] Thermodynamic properties of standard seawater: extensions to high temperatures and pressures
    Safarov, J.
    Millero, F.
    Feistel, R.
    Heintz, A.
    Hassel, E.
    OCEAN SCIENCE, 2009, 5 (03) : 235 - 246
  • [22] Structural and thermodynamic properties of hexagonal BeO at high pressures and temperatures
    Song, Hai-Feng
    Liu, Hai-Feng
    Tian, Enke
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2007, 19 (45)
  • [23] PREDICTION OF THE THERMODYNAMIC PROPERTIES OF ELECTROLYTES AT HIGH-PRESSURES AND TEMPERATURES
    HELGESON, HC
    PHYSICS AND CHEMISTRY OF THE EARTH, 1981, 13-4 : 133 - 177
  • [24] Dynamic properties of methanol water mixtures at the temperatures up to 476.2 K and at high pressures via molecular dynamics simulation
    Ono, Takumi
    Horikawa, Kyouhei
    Maeda, Yuki
    Ota, Masaki
    Sato, Yoshiyuki
    Inomata, Hiroshi
    FLUID PHASE EQUILIBRIA, 2016, 420 : 30 - 35
  • [25] Equation of state of nitrogen (N2) at high pressures and high temperatures:: Molecular dynamics simulation
    Krukowski, S
    Straak, P
    JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (13):
  • [26] Molecular dynamics simulation of thermodynamic properties of YAG
    Chen Jun
    Chen Dong-Quan
    Zhang Jing-Lin
    CHINESE PHYSICS, 2007, 16 (09): : 2779 - 2785
  • [27] Properties of MgO at high pressures: Shell-model molecular dynamics simulation
    Sun, XW
    Chen, QF
    Chu, YD
    Wang, CW
    PHYSICA B-CONDENSED MATTER, 2005, 370 (1-4) : 186 - 194
  • [28] The solubility of H2 in NaCl brine at high pressures and high temperatures: Molecular simulation study and thermodynamic modeling
    Kerkache, Halla
    Hoang, Hai
    Cezac, Pierre
    Galliero, Guillaume
    Chabab, Salaheddine
    JOURNAL OF MOLECULAR LIQUIDS, 2024, 400
  • [29] Comparative study of the structural and thermodynamic properties of MgO at high pressures and high temperatures
    Song, T.
    Sun, X. W.
    Liu, Y. X.
    Liu, Z. J.
    Chen, Q. E.
    Wang, C. W.
    JOURNAL OF ALLOYS AND COMPOUNDS, 2008, 461 (1-2) : 279 - 284
  • [30] Comparative study of the structural and thermodynamic properties of MgO at high pressures and high temperatures
    Song, T.
    Sun, X.W.
    Liu, Y.X.
    Liu, Z.J.
    Chen, Q.F.
    Wang, C.W.
    1600, Elsevier Ltd, Langford Lane, Kidlington, Oxford, OX5 1GB, United Kingdom (461): : 1 - 2
12345