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  Diffusivity maximum in a reentrant nematic phase

Stieger, T., Mazza, M. G., & Schoen, M. (2012). Diffusivity maximum in a reentrant nematic phase. International Journal of Molecular Sciences, 13(6), 7854-7871. doi:10.3390/ijms13067854.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-B41F-5 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-B420-0
Genre: Journal Article

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 Creators:
Stieger, Tillmann, Author
Mazza, Marco G.1, Author              
Schoen, Martin, Author
Affiliations:
1Group Non-equilibrium soft matter, Department of Dynamics of Complex Fluids, Max Planck Institute for Dynamics and Self-Organization, Max Planck Society, ou_2063308              

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Free keywords: reentrant phase; nematic; dynamics; diffusion
 Abstract: We report molecular dynamics simulations of confined liquid crystals using the Gay–Berne–Kihara model. Upon isobaric cooling, the standard sequence of isotropic–nematic–smectic A phase transitions is found. Upon further cooling a reentrant nematic phase occurs. We investigate the temperature dependence of the self-diffusion coefficient of the fluid in the nematic, smectic and reentrant nematic phases. We find a maximum in diffusivity upon isobaric cooling. Diffusion increases dramatically in the reentrant phase due to the high orientational molecular order. As the temperature is lowered, the diffusion coefficient follows an Arrhenius behavior. The activation energy of the reentrant phase is found in reasonable agreement with the reported experimental data. We discuss how repulsive interactions may be the underlying mechanism that could explain the occurrence of reentrant nematic behavior for polar and non-polar molecules.

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Language(s): eng - English
 Dates: 2012-06-21
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.3390/ijms13067854
BibTex Citekey: stieger_diffusivity_2012
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Title: International Journal of Molecular Sciences
Source Genre: Journal
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Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 13 (6) Sequence Number: - Start / End Page: 7854 - 7871 Identifier: -