The transport coefficients of a dilute gas inelastic hard spheres immersed in molecular are determined. We assume that the number density granular is much smaller than surrounding gas, so latter not affected by presence solid particles. In this situation, may be treated as thermostat (or bath) elastic at fixed temperature. This system (granular thermostated bath spheres) can considered reliable...

A theoretical study of the kinetic and mechanism of intramoleccha cychcation of (1)-undeca-7,8-dien-2-yne was performed using MT methods at B3LYP and B3PW91 levels of theory using 6-311g, 6-311C.6-31 IGs*, 6-31I+G, 6-31 I4-SG and 6-3114H-Gs* basis seo. Equilibrium molecular geometries andharmonic vibrational frequencies of the reaccint, transition state and product wens calculated. Theconsidere...

Introduction to the ideal gas laws, kinetic-molecular theory and real gases

A kinetic theory is formulated for the velocity of a step edge in epitaxial growth. The formulation involves kinetic, mean-field equations for the density of kinks and "edge adatoms" along the step edge. Equilibrium and kinetic steady states, corresponding to zero and nonzero deposition flux, respectively, are derived for a periodic sequence of step edges. The theoretical results are compared t...

The paper is concerned with some aspects of stochastic modelling in kinetic theory. First, an overview of the role of particle models with random interactions is given. These models are important both in the context of foundations of kinetic theory and for the design of numerical algorithms in various engineering applications. Then, the class of jump processes with a finite number of states is ...

For closed-loop control of thin film deposition, one would like to directly control film properties such as roughness, stress, or composition, rather than process parameters like temperatures and flow rates. This requires a model of the dynamic response of film properties to changes in process conditions. Direct atomistic simulation is far too slow to be used in this capacity, but a promising a...