Description of interfaces of fluid-tethered chains: advances in density functional theories and off-lattice computer simulations

Abstract

Many objects of nanoscopic dimensions involve fluid-tethered chain interfaces. These systems are of interest for basic science and for several applications, in particular for design of nanodevices for specific purposes. We review recent developments of theoretical methods in this area of research and in particular of density functional (DF) approaches, which provide important insights into microscopic properties of such interfaces. The theories permit to describe the dependence of adsorption, wettability, solvation forces and electric interfacial phenomena on thermodynamic states and on characteristics of tethered chains. Computer simulations for the problems in question are overviewed as well. Theoretical results are discussed in relation to simulation results and to some experimental observations.

Review article, 34 pages, 11 figures

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Cited by in corpus (1)

• Towards the description of water adsorption in slit-like nanochannels with grafted molecular brushes. Density functional theory