DOI: 10.1063/1.452086. Molecular dynamics study of a dipolar fluid between charged plates. II

Molecular dynamics study of a dipolar fluid between charged plates. II

10.1063/1.452086

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Further molecular dynamics simulations of thin films of Stockmayer molecules between Lennard-Jones plates are discussed when the distance h between the plates ranges from 2.25 σ to 9.5 σ, where σ is the molecular diameter, and the electric field E ranges between 0 and 1010 V/m. The solvation force is calculated as a function of the plate separation h when E=0 and E=109 V/m and as a function of the field E when h=4.0 σ and 7.5 σ. We also study the system when h=2.25 σ and 4.0 σ with the field E ranging from 0 to 1010 V/m and find that the monolayer system (h=2.25 σ) seems to undergo changes of state as the temperature is lowered at zero field or if the field is changed at low temperature. While, in the absence of a field, the molecules tend to form loops and chain-like structures with the dipoles parallel to the wall, a strong external field orients the dipoles along the field so that the long-range repulsive interaction appears to induce a transition to an imperfect (two-dimensional) triangular lattice at low temperature. In between these states, at low temperatures and high fields, the molecules are packed in parallel chains with their moments perpendicular to the field and in ‘‘ferroelectric domains’’ of opposite polarization.

Bibliography

Lee, S. H., Rasaiah, J. C., & Hubbard, J. B. (1987). Molecular dynamics study of a dipolar fluid between charged plates. II. The Journal of Chemical Physics, 86(4), 2383â2393.

Authors 3

Song Hi Lee (first)
Jayendran C. Rasaiah (additional)
J. B. Hubbard (additional)

References 26 Referenced 32

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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, 12:52 a.m.)
Indexed	1 year, 6 months ago (Feb. 11, 2024, 7:58 a.m.)
Issued	38 years, 6 months ago (Feb. 15, 1987)
Published	38 years, 6 months ago (Feb. 15, 1987)
Published Print	38 years, 6 months ago (Feb. 15, 1987)

Funders 0

None

BibTeX

@article{Lee_1987, title={Molecular dynamics study of a dipolar fluid between charged plates. II}, volume={86}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.452086}, DOI={10.1063/1.452086}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lee, Song Hi and Rasaiah, Jayendran C. and Hubbard, J. B.}, year={1987}, month=feb, pages={2383–2393} }

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