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Simulation of complex fluids including hydrodynamics: membranes and polymeric systems

Simulation of complex fluids including hydrodynamics: membranes and polymeric systems

Objective

The dynamics of complex fluids, as polymeric or anphiphilic systems, is determined by a subtle interplay between processes in a wide spectrum of time and length scales. These systems, of immense importance in industrial applications and life, are nowadays the subject of active research. Modern computer simulations try to describe their intermediate scales from the underlying atomistic features. Nevertheless, traditional simulation techniques (such as molecular dynamics (MD) for the nanoscale, dissipative particle dynamics (DPD) for the mesoscale, or continuum fluid dynamics (CFD) for larger scales) fail to conform to this task because they were built to separately solve each complexity level. This project will use novel multiscale techniques that link several degrees of complexity. These methods describe the molecular features only at the relevant locations of the system, while using a coarse-grained model to include the hydrodynamic transfers from the bulk flow. This greatly reduces the computational cost , without loss of detail. We shall use two different multiscale techniques: the hybrid particle-continuum scheme derived by the Researcher, Dr. Delgado-Buscalioni, during his Marie Curie period and a new algorithm to cast the entanglements of polymer chain s in DPD simulations.
The hybrid model shall be used to study interfacial systems under flow: tethered polymers and membranes. The DPD scheme with entanglements will be used to study star and branched polymers under flow. The local group has a vast experience on membranes and polymeric systems, from both, simulations (via MD, Monte Carlo and DPD techniques) and experiments. Collaborations with other European groups are also planned. The Researcher will be contracted for four years by the UNED with a Resea rch Contract enabling part-time teaching endeavours. Moreover the host group will back him for a future stable position in the local Department.

Coordinator

UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA

Address

C/ Bravo Murillo 38
Madrid

Spain

Administrative Contact

Carmen SANCHEZ RENAMAYOR (Dr)

Project information

Grant agreement ID: 6316

  • Start date

    1 March 2005

  • End date

    28 February 2006

Funded under:

FP6-MOBILITY

  • Overall budget:

    € 40 000

  • EU contribution

    € 40 000

Coordinated by:

UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA

Spain