饱和液态制冷剂氨的热物理性质的分子动力学模拟.PDFVIP

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饱和液态制冷剂氨的热物理性质的分子动力学模拟.PDF

33  Vol.33,No.1 第 卷 第 期 制冷学报 202 2 Journal of Refrigeration February. 2012 年 月 0253-4339 2012 01-0032-03 文章编号: ( ) - doi:10.3969/j.issn. 0253 4339. 2012. 01. 032 饱和液态制冷剂氨的热物理性质的分子动力学模拟 赵胜喜 祁影霞 周生平 张 华 (上海理工大学能源与动力工程学院 上海 200093) 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 + 中图分类号:TB61 2; TK 12 1 文献标识码:A 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, Shanghai, ( 200093, China) 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. Keywords Engineering thermophysics; Molecular dynamics simulation; Thermodynamic properties; Ammonia 氨是最早用于人工制冷的天然制冷剂之一, 模拟了制冷剂R 143a 、R 152a 、R 142b 的热力学性 它的ODP和GWP均为零,而且氨泄漏后能够被雨 质,并优化了替代制冷剂R

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