Comparison of linear solvers for equilibrium geochemistry computations

DOI10.1007/S10596-016-9600-5MaRDI QIDQ1702340zbMATH OpenOpenAlexFDO

Authors 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)

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Cites work

• scientific article; zbMATH DE number 996424 (Why is no real title available?)
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• Comparison of numerical methods for simulating strongly nonlinear and heterogeneous reactive transport problems --- the MoMaS benchmark case
• Influence of Preconditioning and Blocking on Accuracy in Solving Markovian Models
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Cited in

(4)

• Convergence acceleration of iterative sequences for equilibrium chemistry computations
• Characterizations of solutions in geochemistry: existence, uniqueness, and precipitation diagram
• 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

Describes a project that uses

Uses Software

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

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