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

Autor:	Nader Mansoori Oghaz, Behzad Haghighi, Ebrahim Ghiamati, Dariush Shahidi
Rok vydání:	2010
Předmět:	Chemistry Isotropy General Physics and Astronomy Thermodynamics Inversion (meteorology) Atmospheric temperature range Collision Potential energy Nitrogen trifluoride chemistry.chemical_compound Classical mechanics Interaction potential Physical and Theoretical Chemistry Reduced viscosity
Zdroj:	Chemical Physics. 369:59-65
ISSN:	0301-0104
DOI:	10.1016/j.chemphys.2010.02.003
Popis:	A new correlation equation for the low-density viscosity collision integrals of nitrogen trifluoride (NF 3 ) 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 NF 3 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 NF 3 from molecular-based standpoint.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::77604805bae859a5396370c0d1417127 https://doi.org/10.1016/j.chemphys.2010.02.003 Zobrazit plný text záznamu Full Text from ScienceDirect