Obiettivo The colloidal suspensions with monovalent counter ions and salt ions will be studied by means of numerical simulations combining non-linear Poisson-Boltzmann equation (to treat the micro ionic degrees of freedom) with Brownian dynamics (for colloids). The colloidal interactions derived from the solution of the Poisson-Boltzmann equation include all electrostatic many-body interactions. With this simulation method the equation ofjstate of colloidal suspensions will be explored. The equation of state will be compared to the cell model predictions, which have not yet been validated in a broad parameter range. In case that phase coexistence will be observed, other methods, like Gibbs ensemble technique and thermodynamic free energy integration will be applied to study it in detail. Aggregation kinetics, which controls the colloidal stability, will also be studied combining the non-linear Poisson- Boltzmann equation with the population balance (Smoluchowski) equation describing the aggregation clusters population dynamics. The many-body electrostatic interactions calculated by this technique will be used to specify realistic input parameters for the aggregation kinetics, which will improve its predictive capabilities. Additionally, also a full Brownian dynamics simulation of the aggregation process (including electrostatic, dispersion and hydrodynamic interactions) will be performed. Clusters growth rate and fractal structure will be analyzed and their relation to the underlying interactions will be explored. The proposer will cooperate with experimental groups in Graz and Stuttgart in planning, performing and evaluating experiments on aggregation in 2D (by means of video microscopy arid laser tweezers) and in 3D (by means of light scattering). The combination of experiments, theory and simulations will provide the proposal with an ideal set of information useful to understand the fundamentally and technologically important aggregation process. Campo scientifico natural sciencesphysical sciencescondensed matter physicssoft matter physicsnatural sciencesphysical sciencesopticsmicroscopynatural sciencesphysical sciencesopticslaser physics Parole chiave Nanotechnology Risk Assessment aggregation kinetics body interactions charged colloids interactions light scattering many numerical simulation phase diagram Programma(i) FP6-MOBILITY - Human resources and Mobility in the specific programme for research, technological development and demonstration "Structuring the European Research Area" under the Sixth Framework Programme 2002-2006 Argomento(i) MOBILITY-2.1 - Marie Curie Intra-European Fellowships (EIF) Invito a presentare proposte FP6-2002-MOBILITY-5 Vedi altri progetti per questo bando Meccanismo di finanziamento EIF - Marie Curie actions-Intra-European Fellowships Coordinatore INSTITUT FUER CHEMIE Contributo UE Nessun dato Indirizzo Heirichstrasse 28 GRAZ Austria Mostra sulla mappa Costo totale Nessun dato
