NANOSYSTEM SIMILARITY - MODELING AND COMPARISON OF AMPHIPHILIC MONOLAYERS ADSORBED ON NANOROUGH SURFACES

The similarity concept and its potential application to nanosystems in cluding tenside-solvent-particle, TSP, systems is discussed. In additi on,TSP systems-are simulated with the Monte Carlo approach. We model T SP systems on a coarse-grained lattice in which tenside molecules are represented as amphiphilic chains with one hydrophilic head and with s everal hydrophobic tail segments. We apply the random walk approach to the modeling of grafted amphiphilic molecules with flexible chains. M ean amphiphile properties are calculated employing the Monte Carlo tec hnique to systems with planar and with nanorough surfaces. Surfaces of different roughness and with various topography are generated by appl ication of deposition models. The influence of surface properties on a mphiphilic monolayer properties is investigated. In particular, segmen t-surface contact probabilities are discussed as a function of surface properties and amphiphile chain length.:We have found that the segmen ts next-to the head segments have the largest contact probability whic h then decreases until a minimum is reached three quarters of the: cha in length away from-the head segment. This minimum is observed to be i ndependent of the surface and of other monolayer properties.