The integral encounter theory of multistage reactions containing association–dissociation reaction stages : Part I. Kinetic equations

An approximate but accurate theory is developed for the kinetics of reversible binding of a ligand to a macromolecule when either can stochastically fluctuate between reactive and unreactive conformations. The theory is based on a set of reaction-diffusion equations for the deviations of the pair distributions from their bulk values. The concentrations are shown to satisfy non-Markovian rate equations with memory kernels that are obtained by solving an irreversible geminate (i.e., two-particle) problem. The relaxation to equilibrium is not exponential but rather a power law. In the Markovian limit, the theory reduces to a set of ordinary rate equations with renormalized rate constants.

show abstract

“…41 This representation has been used in the development of various forms of encounter theory. 24,42,43 …”

Section: Gated Macromoleculesmentioning

confidence: 99%

Reversible Stochastically Gated Diffusion-Influenced Reactions

Gopich

Szabó

2016

J. Phys. Chem. B

View full text Add to dashboard Cite

show abstract

“…We shall apply the general ET formulation 8,9 to the reaction comprising arbitrary amount of bimolecular stages…”

Section: Encounter Theorymentioning

confidence: 99%

“…The other matrices can be expressed via the pertinent kinetic rate constants: 8,9 ͗A k B l ͉K AB ͉A i B j ͘ϭk A i ϩB j →A k ϩB l i, j k,l, The other matrices can be expressed via the pertinent kinetic rate constants: 8,9 ͗A k B l ͉K AB ͉A i B j ͘ϭk A i ϩB j →A k ϩB l i, j k,l,…”

Section: Encounter Theorymentioning

confidence: 99%

A novel method for calculating rate constants of diffusion-influenced reactions

Ivanov

Lukzen

2004

The Journal of Chemical Physics

Self Cite

View full text Add to dashboard Cite

show abstract

“…Different many-particle techniques were proposed in the literature [24][25][26] but we use the method most closely related to the Encounter Theory notions. Such a method based on the adaptation of non-stationary quantum scattering theory techniques and non-equilibrium statistical mechanics methods to chemically reacting systems now has become possible [27][28][29][30][31][32][33][34].…”

Section: Introductionmentioning

confidence: 99%

Influence of the force interaction on accumulation of macroscopic correlations in elementary reaction A + B → C

2012

Self Cite

View full text Add to dashboard Cite

The applicability of the Encounter Theory (ET) (the prototype of the Collision Theory) concepts for widely occurring diffusion assisted irreversible bulk reaction A + B → C (for example, radical reaction) in dilute solutions taking account of initial microscopic correlations and force interactions between reactants has been treated theoretically with modern many-particle method for the derivation of nonMarkovian binary kinetic equations. The method shows that taking into consideration initial correlations and force interactions leads to the redefinition of the Markovian rate constant only in the expressions derived earlier. Thus, just as in the reaction A + A → C and the reaction A + B → C neglecting force and initial correlations, the Modified Encounter Theory (MET), when reduced to equations of a Regular Form, both extends the time applicability range of ET homogeneous rate equation, and yields the inhomogeneous equation of the Generalized Encounter Theory (GET). It reveals macroscopic correlations induced by the encounters in the reservoir of free walks in full agreement with physical considerations. Time accumulation of macroscopic correlations obeys the same time law as in the previously considered case neglecting force interactions. Just the rate of the process will change, according to traditional redefinition of the steady-state constant of the reaction.

show abstract

The integral encounter theory of multistage reactions containing association–dissociation reaction stages : Part I. Kinetic equations

Cited by 29 publications

References 48 publications

Reversible Stochastically Gated Diffusion-Influenced Reactions

Reversible Stochastically Gated Diffusion-Influenced Reactions

A novel method for calculating rate constants of diffusion-influenced reactions

Influence of the force interaction on accumulation of macroscopic correlations in elementary reaction A + B → C

Contact Info

Product

Resources

About