Publication Details (including relevant citation information):
Originally prepared by Axel Drefahl in 1999 at the Technical University in Freiberg, Saxony, Germany, intented to be published in a monograph on "Some Aspects of Mathematical Chemistry," suggested by Prof. R. K. Mohanty as a follow-up to the First Indo-US Workshop on Mathematical Chemistry (January 9-13, 1998) at the Visva-Bharati University in Santiniketa, West Bengal, India. To my knowledge this publication, allthough peer-reviewed and accepted, never materialized, but I self-published this review in 2007 on the Web.
Applications of the Monte Carlo method to selected chemical systems are briefly reviewed. Several models of molecular chains are introduced emphasizing the random walk concept and comparison with scaling predictions. The Monte Carlo approach is illustrated with a system of two interacting, self-assembled monolayers of amphiphile molecules using an off-lattice, good solvent model. Mean size chain properties and density profiles are discussed for separated and interacting layers and compared with results from lattice simulations. It is demonstrated that Monte Carlo simulations compliment both theory and experiment in understanding complex chemical systems and in predicting their properties.
Address (URL): http://www.axeleratio.com/axel/reviewMCS.pdf