State space parameterization of explosive eigenvalues during autoignition

Hansen, Michael A.; Armstrong, Elizabeth; Sutherland, James C.

doi:10.1016/j.combustflame.2018.06.012

State space parameterization of explosive eigenvalues during autoignition

Journal Article · Sat Jun 30 00:00:00 EDT 2018 · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2018.06.012· OSTI ID:1611178

Hansen, Michael A. ^[1]; Armstrong, Elizabeth ^[2]; ^[2]

Univ. of Utah, Salt Lake City, UT (United States); DOE/OSTI
Univ. of Utah, Salt Lake City, UT (United States)

Explosive modes such as ignition and extinction are characterized by an eigenvalue of the chemical Jacobian matrix with positive real part, representing the transient instability of chain-branching chemistry and thermal feedback. Formation and eigen-decomposition of the Jacobian matrix are expensive operations whose cost increases cubically with chemical mechanism size. As an alternative to directly computing the eigenvalues of the Jacobian, we explore principal component analysis (PCA) along with nonlinear regression as a methodology to parameterize the eigenvalues by state variables (or linear combinations thereof). We evaluate this modeling strategy using homogeneous autoignition data on two different applications: pseudotransient continuation (Ψtc)-based ODE solvers and chemical explosive mode analysis (CEMA). Results indicate that the PCA-based parameterization of the eigenvalues appears feasible for Ψtc solvers in autoignition calculations over a range of temperatures and pressures. Our results also show that eigenvalue models are capable of tracking sharp discontinuities (such as ignition or extinction) in the eigenvalue for computational flame diagnostics such as CEMA.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Utah, Salt Lake City, UT (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC04-94AL85000; SC0008998

OSTI ID:: 1611178

Alternate ID(s):: OSTI ID: 1601020

Journal Information:: Combustion and Flame, Journal Name: Combustion and Flame Vol. 196; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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State space parameterization of explosive eigenvalues during autoignition

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