A New Method of Estimating LJ Pair Potential Parameters Based on Nano Particle Interactions

Salandari, Marzieh and Mousavi, Mehdi and Nasehzadeh, Asadollah (2008) A New Method of Estimating LJ Pair Potential Parameters Based on Nano Particle Interactions. In: 11th Iranian Physical Chemistry Seminar-July 2008.

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Abstract

Equations of states depend extremely on the intermolecular potential energy. Therefore, from thermodynamic point of view application of the more accurate equation of potential energy results in more accurate and more acceptable equation of state. Perturbation theory facilitates study of real systems through extending our calculations from equations related to the ideal systems to real systems. Characterization of nano particle interactions depends on the LJ pair potential parameters and on the packing factor y, theoretically. This work is a continuation of our previous work [1-3] in which the perturbation theory was used to estimate the effective Lennard-Jones (6-12) pair potential parameters of carbon in nanotubes and few inorganic nano systems. This theory has been developed by Chandler, Weeks, Anderson, Verlet, and Weis (CWAVW) [4].

Item Type: Conference or Workshop Item (Poster)
Persian Title: A New Method of Estimating LJ Pair Potential Parameters Based on Nano Particle Interactions
Persian Abstract: -
Subjects: Divisions > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Divisions: Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Subjects > Conferences > 11th Iranian Physical Chemistry Seminar- July 2008
Date Deposited: 15 Jun 2019 08:02
Last Modified: 15 Jun 2019 08:02
URI: http://repository.uma.ac.ir/id/eprint/6732

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