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Fast algorithm for calculating chemical kinetics in turbulent reacting flowThis paper addresses the need for a fast batch chemistry solver to perform the kinetics part of a split operator formulation of turbulent reacting flows, with special attention focused on the solution of the ordinary differential equations governing a homogeneous gas-phase chemical reaction. For this purpose, a two-part predictor-corrector algorithm which incorporates an exponentially fitted trapezoidal method was developed. The algorithm performs filtering of ill-posed initial conditions, automatic step-size selection, and automatic selection of Jacobi-Newton or Newton-Raphson iteration for convergence to achieve maximum computational efficiency while observing a prescribed error tolerance. The new algorithm, termed CREK1D (combustion reaction kinetics, one-dimensional), compared favorably with the code LSODE when tested on two representative problems drawn from combustion kinetics, and is faster than LSODE.
Document ID
19870051684
Acquisition Source
Legacy CDMS
Document Type
Conference Paper
Authors
Radhakrishnan, K.
(NASA Lewis Research Center Cleveland, OH, United States)
Pratt, D. T.
(Aerojet Propulsion Research Institute Sacramento, CA, United States)
Date Acquired
August 13, 2013
Publication Date
January 1, 1986
Subject Category
Inorganic And Physical Chemistry
Accession Number
87A38958
Funding Number(s)
CONTRACT_GRANT: NAG3-294
CONTRACT_GRANT: NAS3-24105
Distribution Limits
Public
Copyright
Other

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