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. Author manuscript; available in PMC: 2019 Jan 1.
Published in final edited form as: Comput Biol Med. 2016 Jun 25;92:156–167. doi: 10.1016/j.compbiomed.2016.06.026

Fig. 1.

Fig. 1

Mass release curves at a point of a continuum determined computationally. (a) Composite medium and small (reference volume RV) around a point P. (b) Schematics of microstructure and FE model for diffusion, with boundary conditions. (c) Molecular dynamics (MD) schematics of calculation of the effective diffusion coefficient. (d) Mass release curves obtained using FE model of RV, normalized to the inlet/outlet surface area, in, say, [µg/µm2]. (e) Change of diffusion coefficient with the distance from solid surface for three concentrations (distance is of nanometer size; Dbulk is diffusion coefficient far from surface).