Isotropic-nematic phase diagram for interacting rigid rods on two-dimensional lattices.
Identifieur interne : 002241 ( Main/Exploration ); précédent : 002240; suivant : 002242Isotropic-nematic phase diagram for interacting rigid rods on two-dimensional lattices.
Auteurs : P. Longone [Argentine] ; M. Dávila ; A J Ramirez-PastorSource :
- Physical review. E, Statistical, nonlinear, and soft matter physics [ 1550-2376 ] ; 2012.
Descripteurs français
- KwdFr :
- MESH :
English descriptors
- KwdEn :
- MESH :
- chemistry : Liquid Crystals, Nanostructures.
- methods : Crystallization.
- ultrastructure : Nanostructures.
- Anisotropy, Computer Simulation, Models, Chemical, Models, Molecular, Phase Transition.
Abstract
The phase behavior of interacting rigid rods of length k (k-mers) on two-dimensional square and triangular lattices has been studied by theoretical calculations in the framework of the lattice-gas model. The process was analyzed by comparing the dependence on coverage of the free energy per site of an isotropic submonolayer of interacting k-mers f(iso)(θ) with that corresponding to a fully aligned (nematic) system f(nem)(θ). The existence of an intersection point between the curves f(iso)(θ) and f(nem)(θ), which is indicative of the occurrence of an isotropic-nematic phase transition in the adlayer, allowed us to obtain the complete (temperature, coverage, k-mer size) phase diagram of the system.
DOI: 10.1103/PhysRevE.85.011136
PubMed: 22400541
Affiliations:
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Le document en format XML
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<term>Cristallisation ()</term>
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<term>Modèles moléculaires</term>
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<front><div type="abstract" xml:lang="en">The phase behavior of interacting rigid rods of length k (k-mers) on two-dimensional square and triangular lattices has been studied by theoretical calculations in the framework of the lattice-gas model. The process was analyzed by comparing the dependence on coverage of the free energy per site of an isotropic submonolayer of interacting k-mers f(iso)(θ) with that corresponding to a fully aligned (nematic) system f(nem)(θ). The existence of an intersection point between the curves f(iso)(θ) and f(nem)(θ), which is indicative of the occurrence of an isotropic-nematic phase transition in the adlayer, allowed us to obtain the complete (temperature, coverage, k-mer size) phase diagram of the system.</div>
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