Power Law Behavior in the Asymptotic Relaxation of Reversible Diffusion-Influenced Reaction<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">A</mml:mi><mml:mi /><mml:mo>+</mml:mo><mml:mi /><mml:mi mathvariant="italic">B</mml:mi><mml:mi /><mml:mo>⇄</mml:mo><mml:mi /><mml:mi mathvariant="italic">AB</mml:mi></mml:math>Perturbed by Photolysis

Yang, Mino; Lee, Sangyoub; Shin, Kye Jung

doi:10.1103/physrevlett.79.3783

Cited by 25 publications

(16 citation statements)

References 29 publications

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“…Recently, considerable interest has focused on the reversible reaction of the type A 1 B $ C for both the isolated pair and the pseudo-first-order cases [5][6][7][8][9][10][11][12]. For the reversible case the "backreaction" boundary condition (BC) [5,13], which is a generalization of the well-known "radiation" BC for the irreversible case, is usually adopted and the exact Green's function for an isolated pair was obtained only in 1D [5].…”

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confidence: 99%

Exact Solution of the Reversible Diffusion-Influenced Reaction for an Isolated Pair in Three Dimensions

1999

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Exact Solution of the Reversible Diffusion-Influenced Reaction for an Isolated Pair in Three Dimensions

1999

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“…For the reactant with an infinite life time, this relation was also found by some authors. 6,9,39,40 To evaluate the various quantities in Eqs. ͑3.42͒, we solve the forward rate kernel f (z) given in Eq.…”

Section: ͑343͒mentioning

confidence: 99%

Kinetic theory of bimolecular reactions in liquid. III. Reversible association–dissociation: A+B⇄C

Yang

Lee

Shin

1998

The Journal of Chemical Physics

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Articles you may be interested inWater-gas-shift reaction on metal nanoparticles and surfacesThe integral encounter theory of multistage reactions containing association-dissociation reaction stages. III. Taking account of quantum states of reactants A theoretical formalism based on the fully renormalized kinetic theory is applied to a diffusion-influenced pseudo-first order reaction kinetics of reversible association-dissociation A ϩB C including unimolecular decay processes. Linear response of the system, initially at equilibrium, to a thermal perturbation is examined and a rate kernel equation for the reactant concentrations is derived. The rate kernel has a hierarchical structure and the propagator appeared in the kernel expression is truncated by a disconnected approximation. When the unimolecular reactions are turned off, the response of the system not only shows the long-time power law of t Ϫ3/2 but also displays the proper behavior over the whole time region in accordance with previous computer simulation results. Moreover, it is shown that the amplitude of the long-time behavior predicted by previous workers is modified by a certain correction factor P which contains dynamical correlation effects. In this way, many-body complication inherent to the history of reactive pair creation is properly implemented in the description of the reversible kinetics. We compare the present theory with the other existing theories such as the rate equation, the superposition approximation, and the convolution approaches. In some limiting cases, results obtained from the present theory can be reduced to those from the existing theories.

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“…Typically, the reversible association-dissociation reaction ͓AϩB↔C͔ has been studied by many authors. [1][2][3][4][5][6][7][8][9][10] In order to check the validity of various theoretical predictions, one has to compare any theoretical result with that of a reliable simulation study.…”

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confidence: 99%

Dynamic correlation effect in reversible diffusion-influenced reactions: Brownian dynamics simulation in three dimensions

Kim

Yang

Shin

1999

The Journal of Chemical Physics

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A Brownian dynamics (BD) simulation for a pseudo-first-order diffusion-influenced reversible association–dissociation reaction of a target system in three dimensions with spherical symmetry is presented. The exact Green function for a reversible geminate dissociation that we obtained recently is utilized in the simulation. We compare the results of simulation with two successful theoretical predictions, the enhanced version of the superposition approximation approach (SA) and the more rigorous kinetic theoretical approach (KT). The KT predicts the correct power law behavior of ∼t−3/2 with a slightly higher amplitude in the long-time region, but it is in good agreement with the BD result in the transient region. On the other hand, a faster relaxation is observed in the transient region for the SA, but the correct power law behavior with numerically exact amplitude is predicted for the exact target system. An interesting interplay between the mobility of the system and the dynamic correlation effect incorporated with many-body problems is also revealed.

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Power Law Behavior in the Asymptotic Relaxation of Reversible Diffusion-Influenced ReactionA+B⇄ABPerturbed by Photolysis

Cited by 25 publications

References 29 publications

Exact Solution of the Reversible Diffusion-Influenced Reaction for an Isolated Pair in Three Dimensions

Exact Solution of the Reversible Diffusion-Influenced Reaction for an Isolated Pair in Three Dimensions

Kinetic theory of bimolecular reactions in liquid. III. Reversible association–dissociation: A+B⇄C

Dynamic correlation effect in reversible diffusion-influenced reactions: Brownian dynamics simulation in three dimensions

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