| 摘要: |
| 运用分子动力学方法模拟了制冷剂氨的饱和液态热物理性质。采用典型的site-site势能模型模拟了制冷剂氨的饱和液态密度和比焓，将模拟结果与美国国家标准研究所（NIST）数据库的值进行了对比，最大相对偏差分别在1.5%（密度）以内和3.2%（比焓）以内。对比结果表明：采用合理的势能模型和参数，运用该模拟方法预测单一组分工质的热物理性质是可行的。 |
| 关键词: 工程热物理 分子动力学模拟 热物理性质 氨 |
| DOI： |
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| 基金项目: |
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| Molecular Dynamics Simulation of Thermodynamic Properties of the Saturated Liquid Ammonia |
| Zhao Shengxi,Qi Yingxia,Zhou Shengping,Zhang Hua |
| (College of Energy and Power Engineering, University of Shanghai for Science and Technology) |
| Abstract: |
| The thermodynamic properties of saturated liquid ammonia were modeled by molecular dynamics simulation. The densities and the specific enthalpies of saturated liquid ammonia are modeled with the site-site potential model. The maximum relative deviations between the simulated results and the database of NIST are less than 1.5% for the density and less than 3.2% for specific enthalphy. The results show that the simulation method is feasible to predict the thermodynamic properties of the single component substance by using the reasonable potential model and parameters. |
| Key words: Engineering thermophysics Molecular dynamics simulation Thermodynamic properties Ammonia |
