|Authors||Klos, J. ; Sommer, J.-U.|
Simulations of the adsorption behavior of Dendrimers
Parallel Processing and Applied Mathematics, Wyrzykowski, R, Dongarra, J, Karczewski, K, Wasniewski, J, ed.
|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|
|Citation||Springer 8385 (2014) 377-384|
|Tags||polymer dendrimer adsorption simulation|