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Article Dans Une Revue Physical Review E : Statistical, Nonlinear, and Soft Matter Physics Année : 2007

Microstructure of neat alcohols

Résumé

Formation of microstructure in homogeneous associated liquids is analyzed through the density-density pair correlation functions, both in direct and reciprocal space, as well as an effective local one-body density function. This is illustrated through a molecular dynamics study of two neat alcohols, namely, methanol and tert-butanol, which have a rich microstructure: chainlike molecular association for the former and micellelike for the latter. The relation to hydrogen bonding interaction is demonstrated. The apparent failure to find microstructure in water—a stronger hydrogen bonding liquid—with the same tools is discussed.

Dates et versions

hal-00267494 , version 1 (27-03-2008)

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Citer

A. Perera, F. Sokolic, L. Zoranic. Microstructure of neat alcohols. Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2007, 75, pp.060502-1-060502-4. ⟨10.1103/PhysrevE.75.060502⟩. ⟨hal-00267494⟩
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