Abstract:
:A comparative analysis of two models of anisotropic reactivity in bimolecular diffusion-controlled reaction kinetics is presented. One is the conventional model of reactive patches (MRP), where the surface of a molecule is assumed to be reactive over a certain region (circular patch) with the rest of the surface being inert. Another one is the model of reactive hemispheres (MRH), assuming that a molecule is reactive within a certain distance from a point on its surface. The accuracy of the known and newly derived simple analytical expressions for the reaction rate is tested by comparison with the simulation results obtained by the original Brownian dynamics method. These formulas prove to be quite accurate in the practically important limit of strong anisotropy corresponding to small size of the reactive patches or hemispheres. Numerical calculations confirm earlier predictions that the MRP rates are much smaller than the MRH rates for the same radii of the reactive regions, especially in the case where both reacting molecules are anisotropic.
journal_name
Biophys Jjournal_title
Biophysical journalauthors
Barzykin AV,Shushin AIdoi
10.1016/S0006-3495(01)76180-2subject
Has Abstractpub_date
2001-05-01 00:00:00pages
2062-73issue
5eissn
0006-3495issn
1542-0086pii
S0006-3495(01)76180-2journal_volume
80pub_type
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