Continuum Monte Carlo Simulation at Constant Pressure of Stiff Chain Molecules at Surfaces

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dc.creatorHilfer, R.
dc.creatorHaas, F. M.
dc.date1996-08-22
dc.date.accessioned2026-07-07T03:08:49Z
dc.date.available2026-07-07T03:08:49Z
dc.descriptionContinuum Monte-Carlo simulations at constant pressure are performed on short chain molecules at surfaces. The rodlike chains, consisting of seven effective monomers, are attached at one end to a flat twodimensional substrate. It is found that the model exhibits phases similar to the liquid condensed and liquid expanded phases of Langmuir monolayers. The model is investigated here for a wide range of pressures and temperatures using a special form of constant pressure simulation compatible with the symmetry breaking during tilting transitions in the liquid condensed phases. At low pressures the chains undergo a tilting transition exhibiting tilt directions towards nearest and also next nearest neighbours depending on temperature. At elevated temperatures and low pressure the film enters a fluidlike phase similar to whose surface area per molecule is in rough quantitative agreement with that of the liquid expanded phase observed in experiment.
dc.description19 pages, http://www.ica1.uni-stuttgart.de
dc.identifierhttps://arxiv.org/abs/cond-mat/9608096
dc.identifierhttp://arxiv.org/abs/cond-mat/9608096
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/27649
dc.subjectCondensed Matter
dc.titleContinuum Monte Carlo Simulation at Constant Pressure of Stiff Chain Molecules at Surfaces
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