DOI: 10.1063/1.456655. Diffusion-controlled reactions. II. Further bounds on the rate constant

Diffusion-controlled reactions. II. Further bounds on the rate constant

10.1063/1.456655

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We apply variational principles derived earlier by us to obtain rigorous upper and lower bounds on the rate constant k associated with diffusion-controlled reactions among static, reactive traps. We derive a phase-interchanged interfacial-surface lower bound on k and a new type of lower bound which we term a ‘‘void’’ bound. Among other results, we compute the phase-interchanged interfacial-surface bound on k for a distribution of fully penetrable (i.e., randomly centered) spheres in which the trap region is the space exterior to the spheres (the ‘‘holes’’ between the spheres) and diffusion occurs in the sphere region. We also derive an upper bound on k for identical spherical traps (randomly or periodically arranged), and evaluate it for a simple cubic lattice.

Bibliography

Torquato, S., & Rubinstein, J. (1989). Diffusion-controlled reactions. II. Further bounds on the rate constant. The Journal of Chemical Physics, 90(3), 1644â1647.

Authors 2

S. Torquato (first)
Jacob Rubinstein (additional)

References 12 Referenced 41

10.1063/1.454440 / J. Chem. Phys. (1988)
10.1007/BF01020577 / J. Stat. Phys. (1986)
10.1103/PhysRevB.35.5385 / Phys. Rev. B (1987)
10.1143/JPSJ.40.567 / J. Phys. Soc. Jpn. (1976)
10.1051/jphyslet:019810042017039300 / J. Phys. (Paris) (1981)
10.1103/PhysRevLett.52.1516 / Phys. Rev. Lett. (1984)
10.1088/0305-4470/10/9/013 / J. Phys. A (1977)
{'key': '2024021007041735900_r6'}
10.1063/1.1706246 / Phys. Fluids (1961)
{'key': '2024021007041735900_r7a', 'first-page': '760', 'volume': '83', 'year': '1985', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1985)
10.1063/1.444011 / J. Chem. Phys. (1982)
10.1016/0378-4371(85)90097-4 / Physica A (1985)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 9:10 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 3:57 a.m.)
Indexed	11 months, 1 week ago (Sept. 16, 2024, 7:48 a.m.)
Issued	36 years, 6 months ago (Feb. 1, 1989)
Published	36 years, 6 months ago (Feb. 1, 1989)
Published Print	36 years, 6 months ago (Feb. 1, 1989)

Funders 0

None

BibTeX

@article{Torquato_1989, title={Diffusion-controlled reactions. II. Further bounds on the rate constant}, volume={90}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.456655}, DOI={10.1063/1.456655}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Torquato, S. and Rubinstein, Jacob}, year={1989}, month=feb, pages={1644–1647} }

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