DOI: 10.1063/1.1681567. Translational and rotational diffusion in liquids. II. Orientational single-particle correlation functions

Translational and rotational diffusion in liquids. II. Orientational single-particle correlation functions

10.1063/1.1681567

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

This is the second of two articles concerned with the translational and rotational motion in molecular liquids. In this paper, orientational single-particle correlation functions are considered. By applying the approximations developed in Paper I of this series, Gordon's J diffusion model theory is derived. The analysis does not require one to adopt the unrealistic views of the liquid state that are usually attributed to that theory. The range of validity of the J diffusion model approximation is ascertained. Further, a microscopic expression is derived for the relaxation time which Gordon introduced phenomenologically. The expression leads naturally to a simple method for calculating τJ. These predictions are tested against results obtained from recent computer simulations of liquid N2. The comparison shows that the theory is qualitatively accurate.

Bibliography

Chandler, D. (1974). Translational and rotational diffusion in liquids. II. Orientational single-particle correlation functions. The Journal of Chemical Physics, 60(9), 3508â3512.

Authors 1

David Chandler (first)

References 17 Referenced 112

{'key': '2024020911401852100_r1', 'first-page': '3596', 'volume': '60', 'year': '1974', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1974)
{'key': '2024020911401852100_r2', 'first-page': '1830', 'volume': '44', 'year': '1960', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1960)
10.1063/1.1669497 / J. Chem. Phys. (1968)
{'key': '2024020911401852100_r4'}
10.1063/1.1695749 / J. Chem. Phys. (1965)
10.1063/1.1730817 / J. Chem. Phys. (1960)
10.1063/1.1678623 / J. Chem. Phys. (1972)
10.1103/PhysRevLett.18.988 / Phys. Rev. Lett. (1967)
{'key': '2024020911401852100_r9'}
10.1103/PhysRevA.5.939 / Phys. Rev. A (1972)
10.1103/PhysRevA.7.1092 / Phys. Rev. A (1973)
10.1103/PhysRevA.4.1597 / Phys. Rev. A (1971)
10.1063/1.1676979 / J. Chem. Phys. (1972)
{'key': '2024020911401852100_r13'}
{'key': '2024020911401852100_r14'}
{'key': '2024020911401852100_r15'}
{'key': '2024020911401852100_r16'}

Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 4:10 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 7:34 a.m.)
Indexed	2 months, 4 weeks ago (May 26, 2025, 10:26 a.m.)
Issued	51 years, 3 months ago (May 1, 1974)
Published	51 years, 3 months ago (May 1, 1974)
Published Print	51 years, 3 months ago (May 1, 1974)

Funders 0

None

BibTeX

@article{Chandler_1974, title={Translational and rotational diffusion in liquids. II. Orientational single-particle correlation functions}, volume={60}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1681567}, DOI={10.1063/1.1681567}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Chandler, David}, year={1974}, month=may, pages={3508–3512} }

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