RATE CONSTANT MATRIX CONTRACTION METHOD FOR STIFF MASTER EQUATIONS WITH DETAILED BALANCE

Iwata, Satoru; Oki, Taihei; Sakaue, Shinsaku

SIAM Journal on Scientific Computing, 2026, 48(1), 1-26

Permalink : https://hdl.handle.net/2115/99227

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アクセス権
open access
URI
https://hdl.handle.net/2115/99227
タイトル
RATE CONSTANT MATRIX CONTRACTION METHOD FOR STIFF MASTER EQUATIONS WITH DETAILED BALANCE
著者
Iwata, Satoru ; Oki, Taihei ; Sakaue, Shinsaku
著者名
Iwata, Satoru
著者名
Oki, Taihei
著者名
Sakaue, Shinsaku
言語
英語
キーワード
chemical kinetics
differential equations
quasi-steady-state approximation
rate constant matrix contraction method
発行日
2026-01-01
出版者
Society for Industrial and Applied Mathematics
収録物名
SIAM Journal on Scientific Computing
巻(号)
48(1)
ページ
1-26
ページ数
26
抄録
This paper considers master equations for Markovian kinetic schemes that possess the detailed balance property. Chemical kinetics, as a prime example, often yields large-scale, highly stiff solutions to such intractable systems. This paper aims to establish a mathematical foundation for the RCMC method. We present a reformulated RCMC method in terms of matrix computation, deriving the method from several natural requirements. We then perform a theoretical error analysis based on eigendecomposition and discuss implementation details regarding computational efficiency and numerical stability. Through numerical experiments on synthetic and real-world kinetic models, we validate the efficiency, numerical stability, and accuracy of the presented method.
資源タイプ
学術雑誌論文
出版タイプ
Accepted Manuscript
権利情報
Creative Commons Attribution 4.0 International
PISSN
1064-8275
EISSN
1095-7197
関連情報 (isVersionOf)
出版社版DOI
https://doi.org/10.1137/24M1668639