Theory and Computer Simulations of Interfacial Phenomena
Abstract
The influence of adsorbing interfaces on structure and thermodynamics of fluids is investigated for the following five topical areas: 1) colloids in contact with substrates, 2) adsorption on crystalline surfaces, 3) phase transitions in adsorbates of linear and branched molecules, 4) structures and phase transitions of adsorbed mixtures which demix in the bulk, 5) adsorption of larger molecules, in particular of biomolecules. Methodological tools are theories, like thermodynamic density functional theory, and molecular simulations, like Monte Carlo, Molecular Dynamics, and Dispersed Particel Dynamics. With increasing complexity of the systems also combinations of these methods will be applied.
Publikationen
The role of fluid wall association on adsorption of chain molecules at functionalized surfaces: a density functional approach.
Autoren: Tscheliessnig, R; Billes, W; Fischer, J; Sokołowski, S; Pizio, O; Jahr: 2006
Journal articles
Project staff
Johann Fischer
Em.O.Univ.Prof. Dr. Johann Fischer
johann.fischer@boku.ac.at
BOKU Project Leader
01.01.2005 - 30.09.2008
Martin Gerzabek
Univ.Prof. Dipl.-Ing. Dr. Dr.h.c.mult. Martin Gerzabek
martin.gerzabek@boku.ac.at
Tel: +43 1 47654-91112
Project Staff
01.01.2005 - 30.09.2008
Martin Wendland
Ao.Univ.Prof. Dipl.-Ing. Dr. Martin Wendland
martin.wendland@boku.ac.at
Tel: +43 1 47654-89352
Project Staff
01.01.2005 - 30.09.2008
BOKU partners
External partners
Marie-Curie-Sklodowska University Lublin
Prof. A. Patrykiejew (Koordinator), Prof. S. Sokolowski, Prof. M. Borowko
sub-coordinator
Max-Plank-Institut für Metallforschung Stuttgart, Abteilung Theorie inhomogener kondensierter Materie
Prof. S. Dietrich
partner
Prague Institute of Chemical Technology, Department of Physical Chemistry
Prof. J. Kolafa, Prof. A. Malijevsky, Prof. S. Labik
partner
Cambridge University, Centre for Computational Chemistry
Dr. A.A. Louis
partner
Universitad Complutense Madrid, Institute of Chemical Physics
Prof. C. Vega
partner