DOI: 10.1063/1.448555. Self-diffusion across the liquid

Self-diffusion across the liquid–crystal interface

10.1063/1.448555

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We report a theoretical study of the variation of the self-diffusion coefficient across a liquid–crystal interface at equilibrium. The study is based on the assumption that the interface is broad compared to the molecular diameter of the diffusing particle. The structure at the interface is described by a set of position-dependent order parameters which change smoothly across the interface from zero in the pure liquid to nonzero constant values in the pure solid phase. The effective potential experienced by a particle at the interface is expressed in terms of these order parameters. A Smoluchowski equation is used to describe the dynamics in the presence of this effective potential. The calculated self-diffusion coefficient changes sharply over a length of 4–5 molecular layers in the interface and reproduces the essential features observed in recent computer simulations. We find that significant topological ordering takes place on the liquid side of the interface before the self-diffusion coefficient shows any detectable change from its liquid phase value. We discuss the limitations of the present approach and propose future applications of the model.

Bibliography

Bagchi, B. (1985). Self-diffusion across the liquidâcrystal interface. The Journal of Chemical Physics, 82(12), 5677â5684.

Authors 1

Biman Bagchi (first)

References 10 Referenced 22

10.1063/1.440392 / J. Chem. Phys. (1980)
{'key': '2024021002151282600_r2', 'first-page': '4029', 'volume': '74', 'year': '1980', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1980)
10.1063/1.443029 / J. Chem. Phys. (1982)
{'key': '2024021002151282600_r4'}
{'key': '2024021002151282600_r5'}
{'key': '2024021002151282600_r6'}
10.1103/PhysRevB.19.2775 / Phys. Rev. B (1979)
10.1016/0378-4371(78)90111-5 / Physica A (1978)
{'key': '2024021002151282600_r9'}
10.1002/pssb.2221190132 / Phys. Status Solidi B (1983)

Dates

Type	When
Created	23 years ago (July 26, 2002, 9 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 10:34 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 7:37 p.m.)
Issued	40 years, 2 months ago (June 15, 1985)
Published	40 years, 2 months ago (June 15, 1985)
Published Print	40 years, 2 months ago (June 15, 1985)

Funders 0

None

BibTeX

@article{Bagchi_1985, title={Self-diffusion across the liquid–crystal interface}, volume={82}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.448555}, DOI={10.1063/1.448555}, number={12}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bagchi, Biman}, year={1985}, month=jun, pages={5677–5684} }

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