Molecular Dynamics Simulation of Thermodynamic Properties of the Saturated Liquid Ammonia
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...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | zho |
| Published: |
Journal of Refrigeration Magazines Agency Co., Ltd.
2012-01-01
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| Series: | Zhileng xuebao |
| Subjects: | |
| Online Access: | http://www.zhilengxuebao.com/thesisDetails#10.3969/j.issn.0253-4339.2012.01.032 |
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| Summary: | 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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| ISSN: | 0253-4339 |