Determination of a potential energy function for nitrogen trifluoride by inversion of the new reduced viscosity collision integrals at zero density

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• 作者：Nader Mansoori Oghaz ; Dariush Shahidi ; Ebrahim Ghiamati ; Behzad Haghighi
• 关键词：Viscosity coefficient correlation ; Interaction potential ; Collision integrals ; Nitrogen trifluoride ; Direct inversion method
• 刊名：Chemical Physics
• 出版年：2010
• 出版时间：21 April 2010
• 年：2010
• 卷：369
• 期：2-3
• 页码：59-65
• 全文大小：348 K

文摘

A new correlation equation for the low-density viscosity collision integrals of nitrogen trifluoride (NF₃) was developed. The correlation equation spans the temperature range of Hurly’s data [J.J. Hurly, Int. J. Thermophys. 25 (2004) 625]. The acquired equation was inverted directly to give an effective isotropic reduced intermolecular potential energy curve corresponding to the viscosity collision integrals. This correlation provides a practical tool for further calculations. The potential energy function of NF₃ was determined at zero pressure and was fitted to the exponential-spline-Morse-spline-van der Waals (ESMSV) in order to obtain the analytical potential forms. It was concluded that the pair interaction potential energy function obtained from the inversion procedure reproduces viscosity coefficients within −1 % up to 0.2 % moderate density regime and could be used as input for calculating of the other thermophysical properties of NF₃ from molecular-based standpoint.