Determination of Molecular Diameter by PVT. (15th March 2012)

• Record Type: Journal Article
• Authors: Moeini, Vahid; Deilam, Mehri
• Other Names: Farantos S. C. Academic Editor.; Panczyk T. Academic Editor.
• Is Part Of: ISRN physical chemistry. Volume 2012(2012)
• Publication Date: 2012-03-15
• Subjects: Chemistry, Physical and theoretical -- Periodicals; Chemistry, Physical and theoretical; 35.10 physical chemistry: general; Periodicals; Electronic journals; 541
• DOI: 10.5402/2012/521827
• Languages: English
• ISSNs: 2090-7761

Abstract

Abstract : We derive an equation for calculation of molecular diameter of dense fluids, with using simultaneous Lennard-Jones (12-6) potential function and the internal pressure results. Considering the internal pressure by modeling the average configurational potential energy and then taking its derivative with respect to volume to a minimum point of potential energy has been shown that molecular diameter is function of the resultant of the forces of attraction and the forces of repulsion between the molecules in a fluid. The regularity is tested with experimental data for 10 fluids including Ar, N2, CO, CO2, CH4, C2 H6, C3 H8, C4 H10, C6 H6, and C6 H5 CH3 . These problems have led us to try to establish a function for the accurate calculation of the molecular diameter based on the internal pressure theory for different fluids. The relationship appears to hold both compressed liquids and dense supercritical fluids.