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BiMOQ-PourbaixDiagram

Materials science tool to create multielement Bi-M-Q Pourbaix diagrams

Python code creates a meshgrid that contains the most stable species combination (evaluated as the most negative chemical potential) at given points.

No installation is necessary. The code can simply be downloaded and run in a python environement or IDE. Diagrams will be saved as png images.

Sample data sets are included. The Code will search for data sets and if none exist within the same directory, will create a data set and save it while the program runs. By using data sets, which contain all balanced chemical equations for the given mass balance ratio, the amount of time needed to generate the Pourbaix diagram is cut down substantially.

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