Geometric acceleration of complex chemical equilibrium calculations —performance in two- to five-component systems

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Authors

Roos, Willem Abraham
Bogaers, Alfred E.J.
Zietsman, Johannes Hendrik

Journal Title

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Publisher

Elsevier

Abstract

Please read abstract in the article.

Description

DATA AVAILABILITY : Data will be made available on request.

Keywords

Equilibrium calculations, CALPHAD, Acceleration, Generic lever rule, Gibbs phase rule, Process models, Multiphysics models

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Citation

Roos, W.A., Bogaers, A.E.J. & Zietsman, J.H. 2023, 'Geometric acceleration of complex chemical equilibrium calculations —performance in two- to five-component systems', Calphad, vol. 82, art. 102584, pp. 1-15, doi : 10.1016/j.calphad.2023.102584.