Comparison of linear solvers for equilibrium geochemistry computations

DOI10.1007/S10596-016-9600-5zbMATH Open1415.86001OpenAlexW2560138162MaRDI QIDQ1702340FDOQ1702340

Hela Machat, Jérôme Carrayrou

Publication date: 28 February 2018

Published in: Computational Geosciences (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10596-016-9600-5

zbMATH Keywords

Newton-Raphson algorithmill-conditioned matrixlinear solversmall matrixgeochemical modellinginstantaneous equilibrium chemistrylinear system inversion

Mathematics Subject Classification ID

Direct numerical methods for linear systems and matrix inversion (65F05) Numerical computation of matrix norms, conditioning, scaling (65F35) Chemically reacting flows (80A32) Computational methods for problems pertaining to geophysics (86-08) Hydrology, hydrography, oceanography (86A05)

Cites Work

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Cited In (3)

• Convergence acceleration of iterative sequences for equilibrium chemistry computations
• Comparison of two methods for solving linear equations occurring in molecular dynamics applications
• A linear programming approach to determine the normative composition of sedimentary rocks

Uses Software

• HSL
• LAPACK
• PARDISO
• MoMaS
• SPECY
• HYDROGEOCHEM
• PHREEQC
• COUPLEX
• FEFLOW
• MINEQL
• MICROQL
• FITEQL
• WATSPEC
• PhreeqcRM

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