نتایج جستجو برای: free volume theory

تعداد نتایج: 1537264  

Bijan Najafi, Gholam Abbas Parsafar, Vahid Moeini Yousef Ghayeb

A new correlation function for the calculation of viscosity for five typical supercritical gases is presented using the rainwater-Friend and modified Enskog theory. It is shown that by using accurate value for the thermal pressure and co-volume in the modified Enskog theory, this correlation function is suitable for calculation of the viscosity of supercritical gases, without any density an...

Journal: :The Journal of chemical physics 2014
Daniel R Spiegel Paulses C Kollie Scott J Van Tilburg

Using forced Rayleigh scattering, the tracer diffusion of methyl red through water and eight other solvents at different temperatures is investigated and the results are compared to the Cohen-Turnbull theory of free-volume diffusion. In seven solvents the effective non-Arrhenius activation energy measured experimentally agrees with the Cohen-Turnbull energy. In water, however, the diffusion can...

2010
H Kleinert V Schulte-Frohlinde

The structural properties of all diagrammatic expansions developed so far can be analyzed systematically with the help of functional equations. In Chapter 3 we have seen that the correlation functions obtained from the functional derivatives of Z[j] via relation (2.14), and the generating functional itself, contain many disconnected parts. Ultimately, however, we shall be interested only in the...

2009

The structural properties of all diagrammatic expansions developed so far can be analyzed systematically with the help of functional equations. In Chapter 3 we have seen that the correlation functions obtained from the functional derivatives of Z[j] via relation (2.14), and the generating functional itself, contain many disconnected parts. Ultimately, however, we shall be interested only in the...

Journal: :Journal of Chemical Physics 2021

Comprehensive calculations were performed to predict the phase behavior of large spherical colloids mixed with small that act as a depletant. To this end, free volume theory (FVT) Lekkerkerker et al. [Europhys. Lett. 20, 559 (1992)] is used basis and extended explicitly include hard-sphere character colloidal depletants into expression for fraction. Taking excluded account in both system reserv...

Journal: :iranian journal of materials forming 2015
a. r. setoodeh a. azizi

in this paper, a closed form solution for bending and free vibration analyses of simply supported rectangular laminated composite plates is presented. the static and free vibration behavior of symmetric and antisymmetric laminates is investigated using a refined first-order shear deformation theory. the winkler–pasternak two-parameter model is employed to express the interaction between the lam...

Journal: :Journal of physics. Condensed matter : an Institute of Physics journal 2010
David S Palmer Andrey I Frolov Ekaterina L Ratkova Maxim V Fedorov

We report a simple universal method to systematically improve the accuracy of hydration free energies calculated using an integral equation theory of molecular liquids, the 3D reference interaction site model. A strong linear correlation is observed between the difference of the experimental and (uncorrected) calculated hydration free energies and the calculated partial molar volume for a data ...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شیراز - دانشکده علوم 1391

in this research we have studied the effect of some transition-metals (cu, ag and au) substitutions on two-electron reduction potential of flavins by application of dft method. all geometries have been optimized at blyp level of theory and “6-31+g** + lanl2dz” mixed basis set. the frequency job at the same method and basis sets has been performed to obtain gibbs free energy of compounds. it h...

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