Molecular dynamics simulations were performed for model partially diffusion-controlled reactions between mono-and diatomic molecules at liquid density with energetical and geometrical restrictions on the reactivity. Since the reorientational motion of the diatomic molecule was fast, a spherical reac
DISCUSSIONS AND NOTES : Diffusion-Controlled Reaction Between β-Quartz and Magnesia
✍ Scribed by JOHN G. LENZ; PATRICK S. NICHOLSON; WALTER W. SMELTZER
- Book ID
- 110814456
- Publisher
- John Wiley and Sons
- Year
- 1977
- Tongue
- English
- Weight
- 318 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0002-7820
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## Synopsis A Brownian dynamics simulation method is used to study the diffusion-influenced bimolecular reaction between superoxide and superoxide dismutase (SOD). Using simple models, the details of which are based on the crystallographic structure of SOD, it is found that the electrostatic charg
It ts shown that -even m tne case of a g~~al mteractlon potentral -the reactton kmetlcs of a correlated pm oi parrlcrss may csclls bc dercrmmed tram rhc correspondms sotutmn for the rcactmn bctaeen starlstrcally dlstrlbuted partrclcs \* "Parttcle" tn thts letter represents all kmds of possible react
## Abstract The previously published equation for the rate of a diffusion‐limited bimolecular reaction between chemically asymmetric molecules is studied numerically for the case that one of the reactant molecules is uniform. The results are reproduced quite well by a simple approximate chemical‐ki