Abstract
We study a coarse grained, continuum model for Langmuir monolayers, i.e., monolayers of amphiphilic molecules on a polar substrate. The amphiphiles are represented by stiff chains of beads with one end grafted to a planar surface. Monte Carlo Simulations at constant pressure have been performed, using simulation boxes of variable size and variable shape. A number of techniques have been explored in order to obtain an efficient simulation algorithm. We discuss the resulting phase diagram, characterize the different phases, and analyze the conditions, under which they can be found.
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Schmid, F., Stadler, C., Lange, H. (1998). Monte Carlo Simulation of Langmuir Monolayer Models. In: Landau, D.P., Mon, K.K., Schüttler, HB. (eds) Computer Simulation Studies in Condensed-Matter Physics X. Springer Proceedings in Physics, vol 83. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-46851-3_4
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DOI: https://doi.org/10.1007/978-3-642-46851-3_4
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