Reaction Kinetics

Diffusion-Controlled Reaction Kinetics

3 Reaction Kinetics

Determination of the Rate Expression and Prediction of Reaction Progress for Irreversible Reactions 12 Integral Methods: Rates Dependent on a Single Constituent 12 Integral Methods: Rates Dependent on a Multiple Constituents 24 Differential Methods 30 Characteristic Reaction Times 32 Analysis of Multiple Simultaneous Reactions 36 Reversible Reactions 36 Reversibility of Reactions and its Relati...

Interfacial Reaction Kinetics

We study A-B reaction kinetics at a fixed interface separating two immiscible bulk phases, A and B. Coupled equations are derived for the hierarchy of many-body correlation functions. Postulating physically motivated bounds, closed equations result without the need for ad hoc decoupling approximations. We consider general dynamical exponent z, where xt ∼ t is the rms diffusion distance after ti...

Reaction rates for mesoscopic reaction-diffusion kinetics.

The mesoscopic reaction-diffusion master equation (RDME) is a popular modeling framework frequently applied to stochastic reaction-diffusion kinetics in systems biology. The RDME is derived from assumptions about the underlying physical properties of the system, and it may produce unphysical results for models where those assumptions fail. In that case, other more comprehensive models are bette...

Reaction Kinetics in Polymer Melts

We study the reaction kinetics of end-functionalized polymer chains dispersed in an unreactive polymer melt. Starting from an infinite hierarchy of coupled equations for many-chain correlation functions, a closed equation is derived for the 2nd order rate constant k after postulating simple physical bounds. Our results generalize previous 2-chain treatments (valid in dilute reactants limit) by ...