| The preliminary results for the particle-based multiscale coupling of fluids will be presented. The idea is to couple the atomistic fluid (Lennard-Jones model, LJ) to the fluid described with mesoscopic hydrodynamic method (Multi-Particle Collision Dynamics, MPC). The coupling has been realised by using a buffer-zone, where particles gradually change their identity while tracing the interface. It provides a convenient way to adjust the level of resolution in the system ``on the fly'', i.e. to enable a more detailed view of the area of interest, while keeping the larger surroundings (i.e. background solvent) on a coarser level. Transport coefficients, thermodynamic and hydrodynamic properties of LJ and MPC models have been mapped to each other, allowing a proper description of hydrodynamic interactions within an efficient numerical framework with reducing artifacts from finite system sizes. |
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