From dissipative particle dynamics scales to physical scales: A coarse-graining study for water flow in microchannel

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In the present work, dissipative particle dynamics (DPD) simulation of simple flows is studied based on coarse-graining parameter. Reference scales of DPD are expressed in terms of physical units and DPD parameters and equations are expressed in terms of Reynolds number and apparent Peclet number. DPD parameters for a given coarse-graining are calculated by matching the density and viscosity of water and Reynolds number of the flow. The formulation is applied to water flow in microchannels of height 5 and 10 μm and tested for a wide range of coarse-graining parameter varying from 107 to 109. The results are in a good agreement with the continuum formulation and simulated the correct hydrodynamics of water flow in microchannels. By inspecting the microscopic detail of the interaction between the DPD particles, it is found that diffusivity is low for high coarse-graining parameter, which results in higher values of Schmidt number. Parameters are tested within the continuum assumption. It is shown that correct Schmidt number can be achieved using small coarse-graining parameter. Also, it is observed that low diffusivity or high Schmidt number does not affect the hydrodynamics of water. © Springer-Verlag 2009.

Publication Title

Microfluidics and Nanofluidics