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Matematicheskoe modelirovanie, 2023, Volume 35, Number 4, Pages 51–64
DOI: https://doi.org/10.20948/mm-2023-04-03 (Mi mm4456) 		 
This article is cited in 2 scientific papers (total in 2 papers)

Quasi-Newton single-phase stability testing without explicit Hessian calculation

S. A. Zakharovab, V. V. Pisarevab

a Joint Institute for High Temperatures of the Russian Academy of Sciences
b Moscow Institute of Physics and Technology (National Research University)
Full-text PDF (489 kB) Citations (2)
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DOI: https://doi.org/10.20948/mm-2023-04-03
Abstract: A robust solver for testing the single-phase stability of a multi-component fluid under isochoric-isobaric conditions is developed. The approach is based on quasi-Newton minimization of Helmholtz free energy. The solver does not need explicit Hessian calculation when used with properly scaled variables. The solver is not tied to a specific equation of state and is applicable when the derivatives are calculated using automatic differentiation. The generation of initial estimates only needs an auxiliary cubic equation of state. We analyze robustness and performance of the solver and present calculations of phase boundary for a number of mixtures using a cubic and a SAFT-type equations of state.
Keywords: phase stability test, isochoric, Helmholtz free energy, Hessian, quasi-Newton optimization.
Funding agency Grant number
Russian Science Foundation 17-79-20391
Ministry of Science and Higher Education of the Russian Federation 075-01056-22-00
Received: 25.07.2022
Revised: 19.12.2022
Accepted: 30.01.2023
English version:
Mathematical Models and Computer Simulations, 2023, Volume 15, Issue 5, Pages 894–904
DOI: https://doi.org/10.1134/S2070048223050137
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: S. A. Zakharov, V. V. Pisarev, “Quasi-Newton single-phase stability testing without explicit Hessian calculation”, Mat. Model., 35:4 (2023), 51–64; Math. Models Comput. Simul., 15:5 (2023), 894–904
Citation in format AMSBIB
\Bibitem{ZakPis23}
\by S.~A.~Zakharov, V.~V.~Pisarev
\paper Quasi-Newton single-phase stability testing without explicit Hessian calculation
\jour Mat. Model.
\yr 2023
\vol 35
\issue 4
\pages 51--64
\mathnet{http://mi.mathnet.ru/mm4456}
\crossref{https://doi.org/10.20948/mm-2023-04-03}
\mathscinet{https://mathscinet.ams.org/mathscinet-getitem?mr=4566991}
\transl
\jour Math. Models Comput. Simul.
\yr 2023
\vol 15
\issue 5
\pages 894--904
\crossref{https://doi.org/10.1134/S2070048223050137}
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    • This publication is cited in the following 2 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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