GeoPS: An interactive visual computing tool for thermodynamic modelling of phase equilibria
The availability of thermodynamic data for geologically relevant phases has made practical the calculation of stable phase relations throughout the mantle and crust of terrestrial planets. GeoPS (http://www.geops.org) is a program designed for this purpose in which both input and output are done thr...
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Veröffentlicht in: | Journal of metamorphic geology 2022-02, Vol.40 (2), p.243-255 |
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description | The availability of thermodynamic data for geologically relevant phases has made practical the calculation of stable phase relations throughout the mantle and crust of terrestrial planets. GeoPS (http://www.geops.org) is a program designed for this purpose in which both input and output are done through an intuitive graphical user interface. GeoPS provides a wide range of phase equilibrium calculations based on a novel Gibbs energy minimization algorithm. The algorithm provides for exceptionally robust and computationally efficient solution to the phase equilibrium problem by successive alternation between a linear programming step to identify stable phase compositions and a non‐linear programming step to refine the compositions estimated during the linear programming. Applications include calculation of various types of phase diagrams and path‐dependent phase fractionation. By combining an easy‐to‐use graphical user interface with a robust and efficient solver, GeoPS makes phase equilibrium modelling accessible to researchers and students with minimal training and provides a powerful tool for understanding natural phase relations and for planning experimental work. |
doi_str_mv | 10.1111/jmg.12626 |
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D.</creator><creatorcontrib>Xiang, Hua ; Connolly, James A. D.</creatorcontrib><description>The availability of thermodynamic data for geologically relevant phases has made practical the calculation of stable phase relations throughout the mantle and crust of terrestrial planets. GeoPS (http://www.geops.org) is a program designed for this purpose in which both input and output are done through an intuitive graphical user interface. GeoPS provides a wide range of phase equilibrium calculations based on a novel Gibbs energy minimization algorithm. The algorithm provides for exceptionally robust and computationally efficient solution to the phase equilibrium problem by successive alternation between a linear programming step to identify stable phase compositions and a non‐linear programming step to refine the compositions estimated during the linear programming. Applications include calculation of various types of phase diagrams and path‐dependent phase fractionation. 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D.</creatorcontrib><title>GeoPS: An interactive visual computing tool for thermodynamic modelling of phase equilibria</title><title>Journal of metamorphic geology</title><description>The availability of thermodynamic data for geologically relevant phases has made practical the calculation of stable phase relations throughout the mantle and crust of terrestrial planets. GeoPS (http://www.geops.org) is a program designed for this purpose in which both input and output are done through an intuitive graphical user interface. GeoPS provides a wide range of phase equilibrium calculations based on a novel Gibbs energy minimization algorithm. The algorithm provides for exceptionally robust and computationally efficient solution to the phase equilibrium problem by successive alternation between a linear programming step to identify stable phase compositions and a non‐linear programming step to refine the compositions estimated during the linear programming. Applications include calculation of various types of phase diagrams and path‐dependent phase fractionation. 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D.</creatorcontrib><collection>CrossRef</collection><collection>Water Resources Abstracts</collection><collection>Environmental Sciences and Pollution Management</collection><collection>ASFA: Aquatic Sciences and Fisheries Abstracts</collection><collection>Aquatic Science & Fisheries Abstracts (ASFA) 2: Ocean Technology, Policy & Non-Living Resources</collection><collection>Aquatic Science & Fisheries Abstracts (ASFA) Professional</collection><jtitle>Journal of metamorphic geology</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Xiang, Hua</au><au>Connolly, James A. 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subjects | Algorithms Composition Equilibrium Fractionation Graphical user interface Linear programming metamorphism Modelling phase diagram Phase diagrams Phase equilibria phase equilibrium Robustness (mathematics) Software Temperature Terrestrial planets Thermodynamic equilibrium thermodynamic modelling Thermodynamic models Training User interface visual computing |
title | GeoPS: An interactive visual computing tool for thermodynamic modelling of phase equilibria |
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