Adaptive chemistry computations of reacting flow
- 1. Sandia National Laboratories, Livermore, CA (United States)
- 2. Universita di Roma 'La Sapienza', Rome (Italy)
- 3. National Technical University of Athens, Athens (Greece)
- 4. University of California at Berkeley and Lawrence Berkeley Nat. Lab., Berkeley, CA (United States)
Description
We present a new tabulation strategy for the numerical integration of chemical reacting flow processes on the basis of a non-stiff system of equations. Both the tabulation and the identification of the non-stiff system are adaptive and are based on the Computational Singular Perturbation (CSP) method. The tabulation strategy is implemented in order to store and reuse the CSP quantities required for the construction of the non-stiff model. In this paper we describe a particular feature of this algorithm, the 'homogeneous correction', that allows for an accurate and efficient identification of the manifold on which the solution moves according to the slow time scales. The improved efficiency in constructing the slow model and simulating the system dynamics along the manifold during run-time calculations is demonstrated
Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. Conference Series (Online)
- Journal Volume
- 78
- Journal Issue
- 1
- Journal Page Range
- p. 012054
- ISSN
- 1742-6596
Conference
- Title
- Scientific Discovery through Advanced Computing
- Acronym
- SciDAC 2007
- Dates
- 24-28 Jun 2007
- Place
- Boston, MA (United States)
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 39029256
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ALGORITHMS; CALCULATION METHODS; CHEMICAL REACTIONS; CHEMISTRY; COMPUTER CALCULATIONS; COMPUTERIZED SIMULATION; CORRECTIONS; DISTURBANCES; EFFICIENCY; EQUATIONS
- Descriptors DEC
- MATHEMATICAL LOGIC; SIMULATION