Computational Methods for Kinetic Reaction Systems

This work is concerned with the study and numerical solution of large reaction diffusion systems with applications to the simulation of degradation effects in solar cells. A discussion of the basics of solar cells including the function of solar cells, the degradation of energy efficiency that happens over time, defects that affect solar cell efficiency and specific defects that can be modeled with a reaction diffusion system are included. Also included is a simple model equation of a solar cell. The basics of stoichiometry theory, how it applies to kinetic reaction systems, and some conservation properties are introduced. A model that considers the migration of defects in addition to the reaction processes is considered. A discussion of asymptotics and how it relates to the numerical simulation of the lifetime of solar cells is included. A reduced solution is considered and a presentation of a numerical comparison of the reduced solution with the full solution on a simple test problem is included. Operator splitting techniques are introduced and discussed. Asymptotically preserving schemes combine asymptotics and operator splitting to use reasonable time steps. A presentation of a realistic example of this study applied to solar cells follows.