Discontinuous Galerkin hp-adaptive methods for multiscale chemical reactors: Quiescent reactors

• Published in: Computer methods in applied mechanics and engineering Vol. 279; pp. 163 - 197
• Main Authors: Michoski, C E, Evans, J A, Schmitz, P G
• Format: Journal Article
• Language: English
• Published: 01.09.2014
• Subjects: Asymptotic properties; Chemical reactors; Convergence; Entropy; Galerkin methods; Mathematical models; Strategy; Three dimensional
• DOI: 10.1016/j.cma.2014.06.0200045-7825
• ISSN: 0045-7825

We present a class of chemical reactor systems, modeled numerically using a fractional multistep method between the reacting and diffusing modes of the system, subsequently allowing one to utilize algebraic techniques for the resulting reactive subsystems. A mixed form discontinuous Galerkin method is presented with implicit and explicit (IMEX) timestepping strategies coupled to dioristic entropy schemes for hp-adaptivity of the solution, where the h and p are adapted based on an L super(1)-stability result. Finally we provide some numerical studies on the convergence behavior, adaptation, and asymptotics of the system applied to a pair of equilibrium problems, as well as to general three-dimensional nonlinear Lotka-Volterra chemical systems.