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Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations
Chemical Physics ( IF 2.0 ) Pub Date : 2018-03-23 , DOI: 10.1016/j.chemphys.2018.03.026
A. Eskandari Nasrabad , R. Laghaei

Computer simulations and various theories are applied to compute the thermodynamic and transport properties of nitrogen fluid. To model the nitrogen interaction, an existing potential in the literature is modified to obtain a close agreement between the simulation results and experimental data for the orthobaric densities. We use the Generic van der Waals theory to calculate the mean free volume and apply the results within the modified Cohen-Turnbull relation to obtain the self-diffusion coefficient. Compared to experimental data, excellent results are obtained via computer simulations for the orthobaric densities, the vapor pressure, the equation of state, and the shear viscosity. We analyze the results of the theory and computer simulations for the various thermophysical properties.



中文翻译:

氮气流体的热力学和输运特性:分子理论和计算机模拟

应用计算机模拟和各种理论来计算氮气的热力学和传输特性。为了模拟氮的相互作用,对文献中的现有潜力进行了修改,以使模拟结果与正压密度的实验数据之间具有紧密的一致性。我们使用范德华(Gene van der Waals)理论计算平均自由体积,并将结果应用于修正的Cohen-Turnbull关系中以获得自扩散系数。与实验数据相比,通过计算机模拟获得的正压密度,蒸气压,状态方程和剪切粘度均获得了极好的结果。我们分析了各种热物理性质的理论和计算机模拟的结果。

更新日期:2018-03-24
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