本文根据统计热力学理论,应用分子动力学模拟方法,对过热水蒸气的热物性进行了研究.选取实验压力为10MPa,利用TIP4P模型和不同经典方程,模拟计算温度从320℃到800℃时水蒸气的压力.从结果可以看出:近饱和区标准维里方程模拟压力值偏离实验值较远,径向状态方程和段式状态方程模拟结果的误差要小于维里方程的.随温度的增加,三种方程的模拟结果均趋于实验值.另外,本文还对影响模拟结果的一些因素进行了详细的讨论.
参考文献
| [1] | Carnahan N F;Starling K E .Equation of State for Non Attractive Rigid Spheres[J].Journal of Chemical Physics,1969,51:635-641. |
| [2] | Peng D Y;Robinson D B .A New Two-Constant Equation of State[J].INDUSTRIAL & ENGINEERING CHEMISTRY FUNDAMENTALS,1976,15(01):59-64. |
| [3] | 胡英.近代化工热力学应用研究的新进展[M].上海:上海科学技术文献出版社,1994 |
| [4] | Duh D M;Mier Y-Teran L .An Analytical Equation of State for the Hard-Core Yukawa[J].Fluid Mol Phys,1997,90(03):373-379. |
| [5] | W L Jorgensen;J Chandrasekhar;J D Madura et al.Comparison of Simple Potential Functions for Liquid Alcohols[J].Journal of Physical Chemistry,1983,79(02):926-935. |
| [6] | Duan ZH.;Weare JH.;Moller N. .A GENERAL EQUATION OF STATE FOR SUPERCRITICAL FLUID MIXTURES AND MOLECULAR DYNAMICS SIMULATION OF MIXTURE PVTX PROPERTIES[J].Geochimica et Cosmochimica Acta: Journal of the Geochemical Society and the Meteoritical Society,1996(7):1209-1216. |
| [7] | Zhang, ZG;Duan, ZH .Prediction of the PVT properties of water over wide range of temperatures and pressures from molecular dynamics simulation[J].Physics of the Earth and Planetary Interiors,2005(3/4):335-354. |
| [8] | M P Allen;D J Tildesley.Computer Simulation of Liquids[M].Oxford:Clarendon.Press,1987:71-135. |
| [9] | 严家;余晓福.水和水蒸气热力性质图表[M].北京:高等教育出版社,1995 |
上一张
下一张
上一张
下一张
计量
- 下载量()
- 访问量()
文章评分
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%