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Numerical simulations of Langmuir monolayer models

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Author(s):
Carlos Eduardo Fiore dos Santos
Total Authors: 1
Document type: Master's Dissertation
Press: São Paulo.
Institution: Universidade de São Paulo (USP). Instituto de Física (IF/SBI)
Defense date:
Examining board members:
Carlos Eugenio Imbassahy Carneiro; Vera Bohomoletz Henriques; Joao Antonio Plascak
Advisor: Carlos Eugenio Imbassahy Carneiro
Abstract

We have studied Langmuit monolayers made of chiral molecules by mapping a simplified version this system onto the Blume-Emery-Griffiths model. We have obtained the main phase diagrams in the case where the molecular forces favour interactions between enantiomers of same type (homochiral interactions). In particular, we have determined the phase diagrams in the chemical potencials plane and in the surface pressure versus concentration plane. This study was carried out by performing Monte Carlo siulations using an cluster algorithm that eliminates metaestability and permit us a precise localization of phase transition lines. The data obtained from numerical simulations were used to calculate surface pressure with two different techniques: numetical integration and the Sauerwein-Oliveira Method. (AU)