Published July 2007 | Version v1
Journal article

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

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