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

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...

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Bibliographic Details
Published inComputer 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
LanguageEnglish
Published 01.09.2014
Subjects
Asymptotic properties
Chemical reactors
Convergence
Entropy
Galerkin methods
Mathematical models
Strategy
Three dimensional
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Summary: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.
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ISSN:0045-7825
DOI:10.1016/j.cma.2014.06.0200045-7825