classical trajectory (monte carlo) calculation is used to calculate collision rate constants of ion-quadrupolar molecule interactions for the h¯+c2h2 system. the method presented here takes into account the effect of the induced dipole-induced dipole potential on ion-quadrupolar molecule collision rate constants. it is also assumed that the colliding particles have a definite size. the thermal ...

The current study aimed at in vitro investigating the kinetic study and thermodynamic analysis of mebendazole drug released from electrospun cellulose nanofiber in which guar gum is used as a release controller. The nanofibers were fabricated by electrospinning technique. The fibers were boosted by different controller guar gum 10 at 50, 250, and 500 ppm concentrations. The drug releas...

A new Density-Functional (DF) formula is constructed for atoms. The kinetic energy of the electrons is divided into two parts: the kinetic self-energy and the orthogonalization energy where these concepts are borrowed from the pseudopotential theory. For the radial part of the orthogonalization energy which replaces the radial part of the Fermi-energy of the Thomas-Fermi model we derived the ex...

The aim of this paper is to present a kinetic formulation of a model for the coupling of transient free surface and pressurised flows. Firstly, we revisit the system of Saint-Venant equations for free surface flow: we state some properties of Saint-Venant equations, we propose a kinetic formulation and we verify that this kinetic formulation leads to a Gibbs equilibrium that minimises (in some ...

kinetic parameters of the ammonolysis reaction of dichloroethane in nonaqueous media are studied and the optimum reaction conditions are reported. a suitable reactor for running the reaction under high pressure in the range of 50 to 500 °c is designed. kinetic behaviours of the system is studied and other reaction parameters such as rate constant, kinetic order, and activation energy are determ...

in current work a comprehensive mechanism based on intermediate radical termination theory is assumed for raft polymerization of styrene over cumyl dithiobenzoate as raft agent. rate constants for addition (ka) and fragmentation reactions (kf) are set to 6×106 and 5×104 respectively, which lead to an equilibrium constant value of k = ka/kf = 1.2 x 102. moment equations method was used to model ...

Pairing occurs in conventional superconductors through a reduction of the electronic potential energy accompanied by an increase in kinetic energy. In the underdoped cuprates, optical experiments show that pairing is driven by a reduction of the electronic kinetic energy. Using the dynamical cluster approximation we study superconductivity in the two-dimensional Hubbard model. We find that pair...

discrete element method (dem) is extensively used for mathematical modeling and simulating the behavior of discrete discs and discrete spheres in two and three dimensional space, respectively. prediction of particles flow regime, power draw and kinetic energy for a laboratory or an industrial mill is possible by dem simulation. in this article, a new approach was used to assess the main paramet...