background & aims of the study: nitrogenous compounds could directly create many problems for human's health and the environment. thus, removal of nitrogenous compounds is necessary. among the most important problems, decreasing dissolved oxygen, toxicity for aquatics, eutrophication, converting aerobic medium into anaerobic one and corrosion could be noted. the aim of this study was deter...

The theory of chemical kinetics forms the basis to describe dynamics reaction networks. Owing physical and thermodynamic constraints, networks possess various structures, which can be utilized characterize important properties In this work, we reveal Hessian geometry underlies demonstrate how it originates from interplay stoichiometric constraints. Our derivation is based on kinetics, assume la...

The kinetics of the CH3 + HO2 bimolecular reaction and the thermal decomposition of CH3OOH are studied theoretically. Direct variable reaction coordinate transition state theory (VRC-TST) is used to compute the high pressure limit rate coefficient for the CH3 + HO2 reaction and to characterize the transition state region of the barrierless CH3O + OH product channel. The CH2O + H2O product chann...

We present a theory for the coagulation reaction A+A-->A for particles moving subdiffusively in one dimension. Our theory is tested against numerical simulations of the concentration of A particles as a function of time ("anomalous kinetics") and of the interparticle distribution function as a function of interparticle distance and time. We find that the theory captures the correct behavior asy...

A positive dynamical system is said to be persistent if every solution that starts in the interior of the positive orthant does not approach the boundary of this orthant. For chemical reaction networks and other models in biology, persistence represents a non-extinction property: if every species is present at the start of the reaction, then no species will tend to be eliminated in the course o...

In a solid-phase immunoassay, binding between an antigen and its specific antibody takes place at the boundary of a liquid and a solid phase. One of the reactants (receptor) is immobilized on a surface. The other reactant (ligand) is initially free in solution. We present a theory describing the kinetics of immunochemical reaction in such a system. A single essential restriction of the theory i...

The kinetics of excited-state proton transfer to solvent from the strong photoacid 5-cyano-2-naphthol exhibits two different power-law asymptotic tails for acid and base, arising from competition between reversible and irreversible geminate reprotonation. We show that the data are in quantitative agreement with a recently developed theory for this diffusion-influenced reaction. q 2000 Elsevier ...

in the present study, the kinetics of biodiesel production through transesterification of brassica carinata oil with methanol in the presence of potassium hydroxide is investigated by kinetic monte carlo simulation. the obtained results from simulation agree qualitatively with the existing experimental data. the kinetics data for each step of suggested mechanism are confirmed by simulation. by ...