Development of Monte Carlo schemes for the study of the phase behaviour and rheology of particles with fluctuating shape

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Project objective

THE AIM OF THE PRESENT PROJECT IS TO DEVELOP NUMERICAL TECHNIQUES THAT MAKE IT POSSIBLE TO STUDY THE PHASE BEHAVIOUR AND RHEOLOGY OF DEFORMABLE PARTICLES, SUCH AS CELLS OR VESICLES. TO THIS END, THE EXISTING MONTE CARLO SCHEMES THAT HAVE BEEN DESIGNED AT THE FOM INSTITUTE TO STUDY PHASE BEHAVIOUR OF POLYMERS AND LIQUID CRYSTALS, HAVE TO BE EXTENDED TO STUDY PHASE TRANSITIONS IN SUSPENSIONS OF CELLULAR OBJECTS WITH FLUCTUATING SHAPE. IT IS WELL KNOWN THAT THE ADDITION OF POLYMERS HAS A PRONOUNCED EFFECT ON THE TENDENCY OF SUSPENDED PARTICLES, SUCH AS RED BLOOD CELLS, TO COAGULATE. IN OUR SIMULATIONS, WE WILL THEREFORE STUDY THE EFFECT OF DISSOLVED POLYMER ADDITIVES ON THE PHASE BEHAVIOUR OF DEFORMABLE-PARTICLE SUSPENSIONS. FINALLY, TO STUDY THE RHEOLOGY OF (DENSE) SUSPENSIONS OF DEFORMABLE PARTICLES, WE INTEND TO INTEGRATE THE MODELLING OF FLEXIBLE OBJECTS WITH A LATTICE BOLTZMANN MODEL TO SIMULATE HYDRODYNAMIC FLOW IN COMPLEX, TIME DEPENDENT GEOMETRIES. I EXPECT TO GAIN A BETTER CONFIDENCE WITH SMART MONTE CARLO METHODS AND WITH THE GENERAL THEORY OF PHASE TRANSITIONS. THE MECHANISM OF POLYMER-INDUCED DEPLETION OF MEMBRANES IS OF INTEREST FOR BIOLOGY, WHERE IT CAN HELP TO UNDERSTAND THE COOPERATIVE BEHAVIOUR OF MANY BIOLOGICAL LIQUIDS. POLYMER + MEMBRANE SYSTEMS AND THEIR FLOW PROPERTIES ARE RELEVANT TO INDUSTRY. THE CONFIGURATIONAL-BIAS MONTE CARLO METHOD, WHICH IS A MAIN TOOL (IN THE SIMULATION OF COMPLEX LIQUIDS HAS BEEN DEVELOPED AT FOM IN COLLABORATION WITH B. SMIT(SHELL).

Original text from CORDIS.

Participants

• Aristotle University of Thessaloniki · ThessalonikiCoordinatorGreece

Links

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