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, \(\tau \). Our calculations indicate that for large values of \(N\) the dendrimers exist in three \(\tau \)-dependent regions referred to as non-adsorbed, critical and adsorbed. Slightly below the critical point of adsorption, \(\tau _c\), a weakly adsorbed state is approached in which the molecules stick to the surface and are spherical in shape. By further lowering \(\tau \) below a spacer-length dependent value, \(\tau ^*(S)<\tau _c\), 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.
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Acknowledgments
Support from DFG contract numbers SO-277/2-1 and KL 2470/ 1-1 is acknowledged. Part of the calculations were carried out at ZIH of the TU Dresden.
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Kłos, J.S., Sommer, J.U. (2014). Simulations of the Adsorption Behavior of Dendrimers. In: Wyrzykowski, R., Dongarra, J., Karczewski, K., Waśniewski, J. (eds) Parallel Processing and Applied Mathematics. PPAM 2013. Lecture Notes in Computer Science(), vol 8385. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-55195-6_35
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DOI: https://doi.org/10.1007/978-3-642-55195-6_35
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