QD61 : The study of molecular interactions of Xenon fluid using the small angle neutron scattering
Thesis > Central Library of Shahrood University > Chemistry > MSc > 2010
Authors:
Bibi Asma Esmaeli [Author], Hosein Nikoufard[Supervisor], Zahra Kalantar Kohdami[Advisor]
Abstarct: In the present work, we have attemted to study the molecular interactions of Xenon fluid from behavior of structure factor, S(k) , using the model of direct correlation function, DCF, of xenon. DCF separated in core and tail parts baxsed on perturbation theory. The core part of DCF has two parameters which can found in different thermodynamic states. The tail of DCF baxsed on lenard-jones (6-12) pair potential that its well depth can be found in any temperature and densities. We have used Linear Isotherm Regularity, LIR, to calculate inter molecular parameters of DCF. In this work we could calculate S(k) for Xenon and also Krypton in large value of thermodynamic states including near critical point. Result of model show a good agreement with experimental data and some theoretical results that are available in the literatures. This agreement was better in high densities region of fluids. It is considerable that our model can be shown result show the Ornestine-Zernik behavior of S(k) in small-k region, which is one of advantage of this project. Also, this model can be predict the divergence of S(0) in near critical point that is related to the fluctuation phenomena. We could obtain the coefficients of small-k expansion of c(k), Fourier transform of DCF, and using the behavior of S(k) in small-k region then predict correlation length, ξ, in near critical states. Finally, we could study the molecular interactions of Xenon fluid with investigating the relation of ξ, with effective intermolecular parameters.
Keywords:
#Xenon fluid #Molecular interactions #Structure factor #Direct correlation function #LIR Link
Keeping place: Central Library of Shahrood University
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