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A CFL‐like constraint for the fast marching method in inhomogeneous chemical kinetics
Author(s) -
Escobedo Ramón
Publication year - 2007
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.21554
Subject(s) - constraint (computer aided design) , fast marching method , eikonal equation , homogeneous , mathematics , eikonal approximation , statistical physics , field (mathematics) , chemical kinetics , physics , kinetics , computer science , classical mechanics , mathematical analysis , algorithm , geometry , pure mathematics
Level sets and fast marching methods are a widely used technique for problems with moving interfaces. Chemical kinetics has been recently added to this family, for the description of reaction paths and chemical waves in homogeneous media, in which the velocity of the interface is described by a given field. A more general framework must consider variable velocities due to inhomogeneities induced by chemical changes. In this case, a constraint must be satisfied for the correct use of fast marching method. We deduce an analytical expression of this constraint when the Godunov scheme is used to solve the Eikonal equation, and we present numerical simulations of a case which must be enforced to obey the constraint. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008