Bulletin of the Korean Chemical Society

  • 제27권8호
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  • Pages.1181-1185
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  • 2006
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  • 0253-2964(pISSN)
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  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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Diffusion-Controlled Reactions Involving a Reactant with Two Reaction Sites: Evaluation of the Utility of Wilemski-Fixman Closure Approximation

  • Uhm, Je-sik (Department of Chemistry, Seoul National University) ;
  • Lee, Jin-uk (Department of Chemistry, Seoul National University) ;
  • Eun, Chang-sun (Department of Chemistry, Seoul National University) ;
  • Lee, Sang-youb (Department of Chemistry, Seoul National University)
  • 발행 : 2006.08.20
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초록

By using two different computer simulation methods, of which one produces exact results while the other is based on the Wilemski-Fixman closure approximation, we evaluate the utility of closure approximation in calculating the rates of diffusion-controlled reactions involving a reactant with multiple reaction sites. We find that errors in the estimates of steady-state rate constants due to closure approximation are not so large. We thus propose an approximate analytic expression for the rate constant based on the closure approximation.

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참고문헌

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피인용 문헌

  1. Concentration effects on the rates of irreversible diffusion-influenced reactions vol.141, pp.8, 2014, https://doi.org/10.1063/1.4893340
  2. Memory Equations for Kinetics of Diffusion-Influenced Reactions vol.27, pp.10, 2006, https://doi.org/10.5012/bkcs.2006.27.10.1659
  3. Physical Chemistry Research Articles Published in the Bulletin of the Korean Chemical Society: 2003-2007 vol.29, pp.2, 2008, https://doi.org/10.5012/bkcs.2008.29.2.450