DOI: 10.1063/1.436485. Kinetic theory derivation of a pair configuration space diffusion equation

Kinetic theory derivation of a pair configuration space diffusion equation

10.1063/1.436485

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A repeated ring kinetic theory is derived to describe the thermal fluctuations of two test particles in a fluid. The kinetic equation incorporates the interaction of the two particles via the potential of the mean force, their uncorrelated Enskog propagation, and multiply correlated collisions among the test particles and the bath particles. By projecting on the configuration space of the test particles, an equation of the form of a diffusion equation is obtained, but with a microscopically defined diffusion tensor. The configuration and time dependent diffusion tensor is given by a time correlation function and can be evaluated for a given molecular model.

Bibliography

Cukier, R. I., Mehaffey, J. R., & Kapral, R. (1978). Kinetic theory derivation of a pair configuration space diffusion equation. The Journal of Chemical Physics, 69(11), 4962â4975.

Authors 3

Robert I. Cukier (first)
J. R. Mehaffey (additional)
Raymond Kapral (additional)

References 24 Referenced 23

{'key': '2024020917170032200_r1'}
{'key': '2024020917170032200_r2', 'first-page': '557', 'volume': '17', 'year': '1916', 'journal-title': 'Phys. Z.'} / Phys. Z. (1916)
{'key': '2024020917170032200_r2a', 'first-page': '585', 'volume': '17', 'year': '1916', 'journal-title': 'Phys. Z.'} / Phys. Z. (1916)
{'key': '2024020917170032200_r2b', 'first-page': '129', 'volume': '92', 'year': '1917', 'journal-title': 'Z. Phys. Chem. (Leipzig)'} / Z. Phys. Chem. (Leipzig) (1917)
{'key': '2024020917170032200_r3', 'first-page': '129', 'volume': '1', 'year': '1961', 'journal-title': 'Prog. React. Kinet.'} / Prog. React. Kinet. (1961)
{'key': '2024020917170032200_r3a'}
{'key': '2024020917170032200_r4', 'first-page': '325', 'volume': '15', 'year': '1969', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. (1969)
{'key': '2024020917170032200_r5'}
10.1007/BF01024130 / J. Stat. Phys. (1969)
10.1063/1.1675379 / J. Chem. Phys. (1971)
10.1063/1.1693717 / Phys. Fluids (1971)
10.1063/1.1678535 / J. Chem. Phys. (1972)
10.1103/PhysRevLett.38.1039 / Phys. Rev. Lett. (1977)
10.1103/PhysRevA.17.1181 / Phys. Rev. A (1978)
10.1103/PhysRevA.7.209 / Phys. Rev. A (1973)
10.1103/PhysRevA.7.222 / Phys. Rev. A (1973)
10.1103/PhysRevA.9.360 / Phys. Rev. A (1974)
{'key': '2024020917170032200_r12', 'first-page': '000', 'volume': '18', 'year': '1978', 'journal-title': 'Phys. Rev. A'} / Phys. Rev. A (1978)
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{'key': '2024020917170032200_r15'}
10.1103/PhysRevA.6.1981 / Phys. Rev. A (1972)
{'key': '2024020917170032200_r16a', 'first-page': '342', 'volume': '64', 'year': '1975', 'journal-title': 'Physica (Utrecht)'} / Physica (Utrecht) (1975)
10.1103/PhysRev.131.2381 / Phys. Rev. (1963)

Dates

Type	When
Created	22 years, 6 months ago (Feb. 27, 2003, 4:26 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 2:06 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 6:46 a.m.)
Issued	46 years, 9 months ago (Dec. 1, 1978)
Published	46 years, 9 months ago (Dec. 1, 1978)
Published Print	46 years, 9 months ago (Dec. 1, 1978)

Funders 0

None

BibTeX

@article{Cukier_1978, title={Kinetic theory derivation of a pair configuration space diffusion equation}, volume={69}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.436485}, DOI={10.1063/1.436485}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Cukier, Robert I. and Mehaffey, J. R. and Kapral, Raymond}, year={1978}, month=dec, pages={4962–4975} }

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