A numerical model was used to simulate the bottom Ekman layer of a continental shelf region. The basis for the model was the Mellor and Yamada level 2« turbulence closure scheme. Conservation equations for momentum, turbulent kinetic energy, and turbulent length scale were utilized in the model. The model was used to simulate data taken from a Cyclesonde mooring on the Peruvian continental shel...

a novel computational fluid dynamics and molecular kinetic theory (cfd-mk) method was developed to simulate the impingement of a nanodroplet onto a solid surface. a numerical solution of the navier–stokes equation using a volume-of-fluid (vof) technique was used to model nanodroplet deformation. dynamic contact angle during droplet impact was obtained by molecular kinetic theory. this dynamic c...

The Scaling Law for the Discrete Kinetic Growth Percolation Model The critical exponent of the total number of finite clusters α is calculated directly without using scaling hypothesis both below and above the percolation threshold pc based on a kinetic growth percolation model in two and three dimensions. Simultaneously, we can calculate other critical exponents β and γ, and show that the scal...

in this study simulation and optimization of an industrial acetylene hydrogenation reactor was studied. three well known kinetic models were used for a nearly similar catalyst to predict the industrial data. due to the complexity of the reactions, none of the offered kinetic models could be considered as an exact kinetic model and it is necessary to determine the kinetic parameters. one of the ...

A growing realization of the importance of stochasticity in cell and molecular processes has stimulated the need for statistical models that incorporate intrinsic (and extrinsic) variability. In this chapter we consider stochastic kinetic models of reaction networks leading to a Markov jump process representation of a system of interest. Traditionally, the stochastic model is characterized by a...

the bubble effectiveness in liquid phase cylohexane non-catalytic oxidation process is discussed in this paper. then the bubble effectiveness and a new proposed kinetic model are used in the mathematical model of the industrial reactor for the cyclohexane non-catalytic oxidation process. furthermore, simulation and optimization based on this reactor model are carried out. the results of simulat...

This paper concerns Kinetic Monte Carlo (KMC) algorithms that have a singleevent execution time independent of the system size. Two methods are presented— one that combines the use of inverted-list data structures with rejection Monte Carlo and a second that combines inverted lists with the Marsaglia-Norman-Cannon algorithm. The resulting algorithms apply to models with rates that are determine...

The dynamic characteristics of deflectable nose missiles with rotary single-channel control were investigated in this paper. Firstly, the effective angle of attack, effective angle of sideslip and quasi-body coordinates were introduced based on the spin characteristics of the missile’s body. Secondly, considering the interaction between the missile’s nose and body, the rigid kinetic model of mi...

Characterizing macromolecular kinetics from molecular dynamics (MD) simulations requires a distance metric that can distinguish slowly interconverting states. Here, we build upon diffusion map theory and define a kinetic distance metric for irreducible Markov processes that quantifies how slowly molecular conformations interconvert. The kinetic distance can be computed given a model that approx...