In practice, the issue of mixing and chemical reactions is very important in the economic aspects of chemical reaction engineering. A major priority in industrial reactors is to optimize the yield of desired products. This optimization is a function of reactor geometry, the chemical and physical characteristics of the reacting system, the degree of mixing, and the mode of supplying the reactor ...

We study a stochastic two-species chemical reaction system with two mechanisms. One mechanism consists of chemical interactions which governs the overall drift of species amounts in the system; the other mechanism consists of resampling, branching or splitting which makes unbiased perturbative changes to species amounts. Our results show that in a system with a large but bounded capacity, certa...

We introduce KiNetX, a fully automated meta-algorithm for the kinetic simulation and analysis of general (complex and noisy) chemical reaction networks with rigorous uncertainty control. It is designed to cope with method inherent errors in quantum chemical calculations on elementary reaction steps. We developed and implemented KiNetX to possess three features. First, KiNetX identifies and elim...

an analysis is carried out to investigate the effects of variable chemical reaction, thermophoresis, temperaturedependent viscosity and thermal radiation on an unsteady mhd free convective heat and mass transfer flow of a viscous, incompressible, electrically conducting fluid past an impulsively started infinite inclined porous plate by taking into account the viscous dissipation effects. the g...

While structures and reactivities of many small molecules can be computed efficiently and accurately using quantum chemical methods, heuristic approaches remain essential for modeling complex structures and large-scale chemical systems. Here, we present a heuristics-aided quantum chemical methodology applicable to complex chemical reaction networks such as those arising in cell metabolism and p...

in order to increase the rate of gas absorption, chemical reaction in the liquid phase is considered. the purpose of this paper was to simulate gas absorption process by a liquid film over a spherical packing incorporating eddy viscosity and diffusivity. second order chemical reaction for two different cases (fast and slow) were considered. the system partial differential equations obtained was...