Abstract

We established multi-scale modeling of biomolecule diffusion on the reaction field with micro structures of an open-well-type micro bioanalysis device. Its behavior was simulated numerically. To simulate biomolecule diffusion affected on different forces occurred by fluid flow, electric double layer (EDL) on the surface of the reaction field, Brownian motion and so on, particle tracing method (PTM) was used, which is Newton's equation of motion intended for the particles as biomolecules. The force terms in this equation consist of fluid drug, electrostatic force by EDL, the force related with Brownian motion and interaction between each particles. The flow rate involved in fluid drug and the voltage in electrostatic force were solved by Navier-Stokes equation and the combination of Poisson-Boltzmann equation and Nernst-Planck equation, respectively. By PTM, the biomolecule diffusion between two structures on the reaction field was simulated. The results showed that biomolecule diffusion between structures changed from convective diffusion to molecular diffusion because the diffusion space of biomolecules was formed by the presence of micro structures. It was possible to simulate biomolecule diffusion affected on different forces using PTM by coupling the multi-physic forces.

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