Published Online: 07 August 2013
Accepted: July 2013
J. Chem. Phys. 139, 054906 (2013); https://doi.org/10.1063/1.4817338
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This work focuses on multiple chain deposition, using a coarse-grained model. The phenomenon is assessed from a novel perspective which emphasizes the conformation and relative arrangement of the deposited chains. Variations in chain number and length are considered, and the surface charge in the different systems ranges from partially neutralized to reversed by backbone deposition. New tools are proposed for the analysis of these systems, in which focus is given to configuration-wise approaches that allow the interpretation of correlated multi-chain behavior. It is seen that adsorption occurs, with a minimal effect upon the bulk conformation, even when overcharging occurs. Also, chain ends create a lower electrostatic potential, which makes them both the least adsorbed region of the backbone, and the prevalent site of closer proximity with other chains. Additionally, adsorption into the most favorable region of the surface overrides, to a large degree, interchain repulsion.
This work was supported by FEDER funds through the COMPETE program—Programa Operacional Factores de Competitividade—and by National funds through Fundação para a Ciência e Tecnologia(FCT) under the Project PTDC/QUI-QUI/101442/2008 (COMPETE: FCOMP-01-0124-FEDER-010831). T.F.G.G.C. acknowledges the same project for a B.I. research grant. S.C.C.N. gratefully acknowledges the post-doctoral research Grant No. SFRH/BPD/71683/2010 assigned by the Fundação para a Ciência e Tecnologia (FCT).
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