| 饱和液态制冷剂氨的热物理性质的分子动力学模拟 |
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| 引用本文： | 赵胜喜,祁影霞,周生平,张华. 饱和液态制冷剂氨的热物理性质的分子动力学模拟[J]. 制冷学报, 2012, 33(1): 32-34 |
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| 作者姓名： | 赵胜喜 祁影霞 周生平 张华 |
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| 作者单位： | 上海理工大学能源与动力工程学院 上海 200093 |
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| 基金项目： | 上海市重点学科建设项目，上海市教育委员会科研创新项目，上海市研究生创新基金项目 |
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| 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。
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| 关 键 词： | 工程热物理 分子动力学模拟 热物理性质 氨 |
Molecular Dynamics Simulation of Thermodynamic Properties of the Saturated Liquid Ammonia |
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| Zhao Shengxi,Qi Yingxi,Zhou Shengping and Zhang Hua. Molecular Dynamics Simulation of Thermodynamic Properties of the Saturated Liquid Ammonia[J]. Journal of Refrigeration, 2012, 33(1): 32-34 |
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| Authors: | Zhao Shengxi Qi Yingxi Zhou Shengping Zhang Hua |
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| Affiliation: | Zhao Shengxi Qi Yingxia Zhou Shengping Zhang Hua(College of Energy and Power Engineering,University of Shanghai for Science and Technology,Shanghai,200093,China) |
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| 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. |
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| Keywords: | Engineering thermophysics Molecular dynamics simulation Thermodynamic properties Ammonia |
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