Authors Klos, J. ; Sommer, J.-U.
Title Simulations of the adsorption behavior of Dendrimers
Parallel Processing and Applied Mathematics, Wyrzykowski, R, Dongarra, J, Karczewski, K, Wasniewski, J, ed.
Date 08.05.2014
Number 47321
Abstract Using Monte Carlo simulations we study adsorption of dendrimers with flexible spacers onto a flat surface in a wide range of molecular weight, N, generation number, G, spacer length, S, and the monomer-surface interaction strength parameter, t. Our calculations indicate that for large values of N the dendrimers exist in three t-dependent regions referred to as non-adsorbed, critical and adsorbed. Slightly below the critical point of adsorption, tc, a weakly adsorbed state is approached in which the molecules stick to the surface and are spherical in shape. By further lowering t below a spacer-length dependent value, t*(S)<tc, a jumplike transition into a strongly adsorbed state occurs. Here, the dendrimers become flat and their lateral size is described by a 2D mean-field model. <br /><br />Parallel processing and applied mathematics : 10th international conference, PPAM 2013, Warsaw, Poland, September 8-11, 2013<br />ISBN 978-3-6425-5194-9
Publisher Springer
Citation Springer 8385 (2014) 377-384
Tags polymer dendrimer adsorption simulation

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