title: Analysis of Finite Difference Discretization Schemes for Diffusion in Spheres with Variable Diffusivity.
abstract: Two finite difference discretization schemes for approximating the spatial derivatives in the diffusion equation in spherical coordinates with variable diffusivity are presented and analyzed. The numerical solutions obtained by the discretization schemes are compared for five cases of the functional form for the variable diffusivity: (I) constant diffusivity, (II) temporally-dependent diffusivity, (III) spatially-dependent diffusivity, (IV) concentration-dependent diffusivity, and (V) implicitly-defined, temporally- and spatially-dependent diffusivity. Although the schemes have similar agreement to known analytical or semi-analytical solutions in the first four cases, in the fifth case for the variable diffusivity, one scheme produces a stable, physically reasonable solution, while the other diverges. We recommend the adoption of the more accurate and stable of these finite difference discretization schemes to numerically approximate the spatial derivatives of the diffusion equation in spherical coordinates for any functional form of variable diffusivity, especially cases where the diffusivity is a function of position.
authors: Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
authors: Ashlee N Ford
authors: AN
authors: Versypt
authors: Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
authors: Richard D
authors: RD
authors: Braatz
keywords: diffusion; finite difference method; method of lines; spherical geometry; variable coefficient
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