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Computers & Chemistry
Volume 25, Issue 1, January 2001, Pages 101-107
 
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doi:10.1016/S0097-8485(00)00093-0    How to Cite or Link Using DOI (Opens New Window)
Copyright © 2001 Elsevier Science Ltd. All rights reserved.

Parallel Rosenbrock methods for chemical systems

D. A. VossCorresponding Author Contact Information and A. Q. M. Khaliq

Department of Mathematics, Western Illinois University, 1 University Circle, Macomb, IL 61455-1390, USA

Received 2 January 2000;
revised 20 January 2000;
accepted 26 June 2000.
Available online 22 December 2000.

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Abstract

Parallel Rosenbrock methods are developed for systems with stiff chemical reactions. Unlike classical Runge–Kutta methods, these linearly implicit schemes avoid the necessity to iterate at each time step. Parallelism across the method allows for the solution of the linear algebraic systems in essentially Backward Euler-like solves on concurrent processors. In addition to possessing excellent stability properties, these methods are computationally efficient while preserving positivity of the solutions. Numerical results confirm these characteristics when applied to problems involving stiff chemistry, and enzyme kinetics.

Author Keywords: Rosenbrock methods; L-stable; Positivity; Adaptivity; Parallel algorithm; Method of lines

Corresponding Author Contact Information Corresponding author


Computers & Chemistry
Volume 25, Issue 1, January 2001, Pages 101-107
 
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