Searching the microscopic features responsible for an undercooled liquid behavior in charged rods

S. Lago, M. Cortada, E. Pernil, S. López-Vidal, Sofia Calero

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/CongresprocedureConferentiebijdrageAcademicpeer review

1 Citaat (Scopus)

Samenvatting

We have found by using Molecular Dynamics simulations that a fluid composed by rods with separated charges placed on the extremes exhibits the typical behavior of an undercooled liquid provided that the charges are large enough. Specifically, important differences with a normal liquid are found for orientation correlation functions, shear viscosity, and diffusion coefficient. Here, we explore in a systematic way the appearance of this behavior by considering variations on the thermodynamic variables as temperature and density but also on the length of the rod and on a shift of the charges respect to the geometric center. This study is also based on our previous results about the structure and thermodynamics of dipolar linear rods either with discrete charges or with point dipoles shifted along the molecular axis.

Originele taal-2Engels
TitelFLOW DYNAMICS
SubtitelThe Second International Conference on Flow Dynamics
Pagina's217-220
Aantal pagina's4
DOI's
StatusGepubliceerd - 5 mei 2006
Extern gepubliceerdJa
EvenementFLOW DYNAMICS: The Second International Conference on Flow Dynamics - Sendai, Japan
Duur: 16 nov. 200518 nov. 2005

Publicatie series

NaamAIP Conference Proceedings
Volume832
ISSN van geprinte versie0094-243X
ISSN van elektronische versie1551-7616

Congres

CongresFLOW DYNAMICS: The Second International Conference on Flow Dynamics
Land/RegioJapan
StadSendai
Periode16/11/0518/11/05

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