The reaction-diffusion master equation (RDME) is a standard modelling approach for understanding stochastic and spatial chemical kinetics. An inherent assumption is that molecules are point-like. Here, we introduce the excluded volume reaction-diffusion master equation (vRDME) which takes into account volume exclusion effects on stochastic kinetics due to a finite molecular radius. We obtain an...

Traditional mean-field rate equations of chemical kinetics for spatially uniform systems1−3 and the corresponding reaction−diffusion equations describing spatial heterogeneity4−6 have proved immensely useful in elucidating catalytic processes. However, it is well-recognized that standard mean-field rate expressions neglect spatial correlations in the reactant and/or product distribution. It is ...

Cyclic Ethers (CEs) belong to a class of compounds importance understand the chemistry both engine auto-ignition hydrocarbon fuels and combustion oxygenated biofuels. This article, divided in six parts, aims at systematically analyzing how up-to-date experimental theoretical methods were applied unveil gas-phase oxidation these compounds. The first part gives brief overview on significance CEs ...

Despite recent successes in physics-based fluid animation, generating desired fluid flow with intuitive control of its motion still remains a challenging problem in the special effects industry. In this paper, we propose a novel approach for path-based smoke simulation that explores the theory of chemical kinetics in an aim to provide a useful animation tool. By describing intended smoke effect...