non-fourier heat transfer analysis of functionally graded (fg) spherical shells subjected to the radiative-convective boundary conditions at their inner and outer surfaces are presented. it is assumed that the material properties have continuous variations along the thickness direction. the incremental differential quadrature method (idqm) as an accurate and computationally efficient numerical ...

Surface enhanced Raman scattering (SERS) is demonstrating a lot of potentials as a sensitive precious probe for chemical and bioanalitical applications. Since long time, the vibrational spectroscopy provides highly specific chemical information about DNA, RNA, viruses and molecules that makes both FTIR and Raman spectroscopies well suited for “fingerprint” detection in biomedical analysis. Howe...

The evaporation of a liquid slab into vacuum is studied by numerical solutions of the Enskog-Vlasov equation for a fluid of spherical molecules interacting by Sutherland potential. The main aim of this work is to obtain the structure of the vapor-liquid interface in non-equilibrium conditions as well as the distribution function of evaporating molecules. The results show that the distribution f...

The goal of this paper is to derive better approximations for effective Born radii in the generalized Born model of molecular solvation by analyzing the Kirkwood-series solution of the Poisson equation for a spherical solute. The main focus is on solutes under non-conducting boundaries, where the solute dielectric constant 2in and solvent dielectric constant 2ex lead to a non-vanishing ratio δ ...

This research has been carried out to study and find a rather general description for a lone pairorbital in molecules. Since the orbital parameters must be manageable in advance, and correctgeometry of the molecule (bond lengths) is depend on the appropriate lone pair description; theFSGO method including optimization has been used to obtain orbital parameters and energy. Theproposed models for...

this research has been carried out to study and find a rather general description for a lone pairorbital in molecules. since the orbital parameters must be manageable in advance, and correctgeometry of the molecule (bond lengths) is depend on the appropriate lone pair description; thefsgo method including optimization has been used to obtain orbital parameters and energy. theproposed models for...

We examine a generalised Navier-Stokes theory applicable to fluids composed of non-spherical molecules. We compare the theoretical predictions for flow velocity and viscosity with results obtained from nonequilibrium molecular dynamics (NEMD) simulations of a fluid undergoing gravity fed flow down a rectangular channel. We study two different fluids: one composed of spherical particles and the ...