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Title: Concentration effects on the rates of irreversible diffusion-influenced reactions

Abstract

We formulate a new theory of the effects of like-particle interactions on the irreversible diffusion-influenced bimolecular reactions of the type A + B → P + B by considering the evolution equation of the triplet ABB number density field explicitly. The solution to the evolution equation is aided by a recently proposed method for solving the Fredholm integral equation of the second kind. We evaluate the theory by comparing its predictions with the results of extensive computer simulations. The present theory provides a reasonable explanation of the simulation results.

Authors:
;  [1];  [2]
  1. Department of Chemistry, Seoul National University, Seoul 151-747 (Korea, Republic of)
  2. Department of Chemistry and Institute of Innovative Functional Imaging, Chung-Ang University, Seoul 156-756 (Korea, Republic of)
Publication Date:
OSTI Identifier:
22419816
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 8; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; DENSITY; DIFFUSION; FORECASTING; INTEGRAL EQUATIONS; PARTICLE INTERACTIONS; SOLUTIONS; TRIPLETS

Citation Formats

Kim, Minjung, Lee, Sangyoub, E-mail: sangyoub@snu.ac.kr, and Kim, Ji-Hyun, E-mail: jihyunkim@cau.ac.kr. Concentration effects on the rates of irreversible diffusion-influenced reactions. United States: N. p., 2014. Web. doi:10.1063/1.4893340.
Kim, Minjung, Lee, Sangyoub, E-mail: sangyoub@snu.ac.kr, & Kim, Ji-Hyun, E-mail: jihyunkim@cau.ac.kr. Concentration effects on the rates of irreversible diffusion-influenced reactions. United States. doi:10.1063/1.4893340.
Kim, Minjung, Lee, Sangyoub, E-mail: sangyoub@snu.ac.kr, and Kim, Ji-Hyun, E-mail: jihyunkim@cau.ac.kr. Thu . "Concentration effects on the rates of irreversible diffusion-influenced reactions". United States. doi:10.1063/1.4893340.
@article{osti_22419816,
title = {Concentration effects on the rates of irreversible diffusion-influenced reactions},
author = {Kim, Minjung and Lee, Sangyoub, E-mail: sangyoub@snu.ac.kr and Kim, Ji-Hyun, E-mail: jihyunkim@cau.ac.kr},
abstractNote = {We formulate a new theory of the effects of like-particle interactions on the irreversible diffusion-influenced bimolecular reactions of the type A + B → P + B by considering the evolution equation of the triplet ABB number density field explicitly. The solution to the evolution equation is aided by a recently proposed method for solving the Fredholm integral equation of the second kind. We evaluate the theory by comparing its predictions with the results of extensive computer simulations. The present theory provides a reasonable explanation of the simulation results.},
doi = {10.1063/1.4893340},
journal = {Journal of Chemical Physics},
number = 8,
volume = 141,
place = {United States},
year = {Thu Aug 28 00:00:00 EDT 2014},
month = {Thu Aug 28 00:00:00 EDT 2014}
}