THERMODYNAMIC PROPERTIES OF SUPERCRITICAL NaCl-H<sub>2</sub>O SYSTEM BY MOLECULAR SIMULATION AND PERTURBATION THEORY

DUAN Liping; LU Jiufang; LI Yigui

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THERMODYNAMIC PROPERTIES OF SUPERCRITICAL NaCl-H₂O SYSTEM BY MOLECULAR SIMULATION AND PERTURBATION THEORY

更新时间：2025-12-10

- THERMODYNAMIC PROPERTIES OF SUPERCRITICAL NaCl-H₂O SYSTEM BY MOLECULAR SIMULATION AND PERTURBATION THEORY
- CIESC Journal Issue 10, (2001)
- 作者机构：
  
  清华大学化学工程系
- 作者简介：
- 基金信息：
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- Online First：25 October 2001，
  
  Published：25 October 2001
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DUAN Liping, LU Jiufang, LI Yigui. THERMODYNAMIC PROPERTIES OF SUPERCRITICAL NaCl-H₂O SYSTEM BY MOLECULAR SIMULATION AND PERTURBATION THEORY[J]. CIESC Journal, 2001, (10).
DOI：

DUAN Liping, LU Jiufang, LI Yigui. THERMODYNAMIC PROPERTIES OF SUPERCRITICAL NaCl-H₂O SYSTEM BY MOLECULAR SIMULATION AND PERTURBATION THEORY[J]. CIESC Journal, 2001, (10). DOI：

摘要

用MC分子模拟方法研究了超临界NaCl-H2 O体系的径向分布函数和化学势

并用考虑硬球、色散和偶极 -偶极作用项的微扰理论公式计算了相同体系的化学势 .结果表明两种方法计算的化学势基本相符

Abstract

The radial distribution functions and chemical potentials of supercritical NaCl-H 2O system at 723.15K and 823.15K were studied by NVT ensemble MC molecular simulation.The chemical potentials were calculated by perturbation theory considering hard sphere

dispersion and dipole-dipole terms.The results show that the chemical potentials calculated from these two methods coincide with each other on the whole.

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THERMODYNAMIC PROPERTIES OF SUPERCRITICAL NaCl-H2O SYSTEM BY MOLECULAR SIMULATION AND PERTURBATION THEORY

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THERMODYNAMIC PROPERTIES OF SUPERCRITICAL NaCl-H₂O SYSTEM BY MOLECULAR SIMULATION AND PERTURBATION THEORY