A kinetic priority queue is a kinetic data structure which determines the largest element in a collection of continuously changing numbers subject to insertions and deletions. Due to its importance, many different constructions have been suggested in the literature, each with its pros and cons. We propose a simple construction that takes advantage of randomization to achieve optimal locality an...

the present work reports a kinetic spectrophotometric method for the determination of traceamounts of sulphite that is based on inhibitory effect of sulphite on the oxidation of methyleneblue (mb) in acidic media. the reaction is followed spectrophotometrically by monitoring thedecrease in absorbance of mb at 664 nm with a fixed time of 0.5-4.5 minutes. it was found thatsulphite exert a strong ...

stefan problem with kinetics is reduced to a system of nonlinear volterra integral equations of second kind and newton's method is applied to linearize it. product integration solution of the linear form is found and sufficient conditions for convergence of the numerical method are given. an example is provided to illustrated the applicability of the method.

thermodynamic restrictions and simultaneous effects of operational conditions on the homogeneous rhodium-catalyzed carbonylation of methanol are studied in this line of research. it is shown that the general nrtl-virial model can be appropriated to study thermodynamics of the carbonylation. it is obtained that the reaction is kinetically and thermodynamically reasonable at temperatures above 42...

A new numerical approach for the efficient computation of grain boundary motion is used to simulate normal grain growth and recrystallization in three dimensions with high accuracy. The method is based on the diffusion of signed distance functions and shares similarities with level set methods. The Herring angle condition at junctions and topological transitions are naturally captured with this...

In this article kinetic Monte Carlo simulations for molecular beam epitaxy (MBE) and pulsed laser depositon (PLD) are compared. It will be shown that an optimal pattern conservation during MBE is achieved for a specific ratio of diffusion to deposition rate. Further on pulsed laser deposition is presented as an alternative way to control layer by layer growth. First results concerning the islan...

Based on kinetic Monte Carlo simulations, we show that modulated wires and island gratings can be formed at vicinal surfaces. The modulation (grating) wavelength along the steps can be tailored by external conditions (coverage and temperature) and intrinsic surface properties (diffusion, terrace width) via a scaling law. Above 220 K a thermodynamic saturation value for the wavelength occurs, wh...

Relating the kinetic behavior of catalytic reactions with adsorbate overlayer structure is a long-standing challenge in catalysis. Even for simple systems such as CO oxidation on Pd(111), recent studies have observed rich behavior. In particular, titration experiments by Kondoh and coworkers on this system (J. Chem. Phys. 2006, 124, 224712), demonstrated firstorder reaction kinetics with respec...

We present an efficient Monte Carlo method to simulate reaction–diffusion processes with spatially varying particle annihilation or transformation rates as it occurs for instance in the context of motor-driven intracellular transport. Like Green’s function reaction dynamics and first-passage time methods, our algorithm avoids small diffusive hops by propagating sufficiently distant particles in...

We study the dynamics of island nucleation in the presence of adsorbates using kinetic Monte Carlo simulations of a two-species growth model. Adatoms (A-atoms) and impurities (B-atoms) are codeposited, diffuse and aggregate subject to attractive AAand AB-interactions. Activated exchange of adatoms with impurities is identified as the key process to maintain decoration of island edges by impurit...