The ground state of a rigid chain molecular model for Langmuir monolayers is investigated. Model molecules are made lip of two rigid chains of "atoms" interacting by Lennard-Jones potentials. It is found out that a minimum of the interaction energy occurs when the molecules are in a herringbone configuration with (nearest neighbor) tilted chains. Upon increasing the applied surface pressure the model displays a reorientation of chains towards next nearest neighbors, resembling that observed in some real surfactant monolayers. At higher pressure the model also displays a, 2-nd order transition to an untilted state.

Tilting and Swiveling transitions in a molecular model for Langmuir monolayers / Buzano, Carla; Pelizzola, Alessandro; Pretti, M.. - In: MOLECULAR CRYSTALS AND LIQUID CRYSTALS SCIENCE AND TECHNOLOGY. SECTION A, MOLECULAR CRYSTALS AND LIQUID CRYSTALS. - ISSN 1058-725X. - 372:(2002), pp. 179-187. (Intervento presentato al convegno 4th Meeting of the Italian-Liquid-Crystal-Society tenutosi a Reggio Calabria nel May 24-26, 2000) [10.1080/10587250127591].

Tilting and Swiveling transitions in a molecular model for Langmuir monolayers

BUZANO, Carla;PELIZZOLA, ALESSANDRO;M. Pretti
2002

Abstract

The ground state of a rigid chain molecular model for Langmuir monolayers is investigated. Model molecules are made lip of two rigid chains of "atoms" interacting by Lennard-Jones potentials. It is found out that a minimum of the interaction energy occurs when the molecules are in a herringbone configuration with (nearest neighbor) tilted chains. Upon increasing the applied surface pressure the model displays a reorientation of chains towards next nearest neighbors, resembling that observed in some real surfactant monolayers. At higher pressure the model also displays a, 2-nd order transition to an untilted state.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11583/1397832
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