Objectif The MesoDyn project bridges the gap between micro- and macroscale modelling by the development of a new class of models and software modules for the mesoscale chemical engineering of complex industrial polymer liquids. The basic process to be modelled is the (micro) phase separation dynamics of a complex polymer liquid, including the influence of boundary conditions, hydrodynamic interactions and reactio-diffusion-phenmomena.Functionalities will include methods for geometry constraints, fluctuating convection and deterministic sheering currents, compressibility modelling, reaction-diffusion modelling, electrostatics for systems at higher ionic strengths, parameterisation tools as well a graphic user interface and appropriate analysis tools.The GUI tools will be implemented into the molecular modelling software package Cerius2 of Molecular Simulations Inc. Results will be validated on industrial physical systems of the end users of MesoDyn, i.e. by BASF, Norsk Hydro and Shell Chemicals, covering the most important material classes in which mesoscale morphology has a high impact on the final product properties. Champ scientifique natural sciencescomputer and information sciencessoftwarenatural scienceschemical sciencespolymer sciencesnatural sciencesmathematicspure mathematicsgeometryengineering and technologychemical engineering Programme(s) FP4-ESPRIT 4 - Specific research and technological development programme in the field of information technologies, 1994-1998 Thème(s) 6.3 - HPCN Simulation and Design Appel à propositions Data not available Régime de financement CSC - Cost-sharing contracts Coordinateur Basf Contribution de l’UE Aucune donnée Adresse Robert Bosch Strasse 67056 Ludwigshafen Allemagne Voir sur la carte Coût total Aucune donnée Participants (3) Trier par ordre alphabétique Trier par contribution de l’UE Tout développer Tout réduire Molecular Simulations Ltd Royaume-Uni Contribution de l’UE Aucune donnée Adresse The Quorum, Barnwell Road 240/250 CB5 8RE Cambridge Voir sur la carte Coût total Aucune donnée Norsk Hydro A.S.A. Norvège Contribution de l’UE Aucune donnée Adresse 3901 Porsgrunn Voir sur la carte Coût total Aucune donnée Shell International Chemicals Bv Pays-Bas Contribution de l’UE Aucune donnée Adresse 2501 AN The Hague Voir sur la carte Coût total Aucune donnée
