Publication | Open Access
VESIcal: 2. A Critical Approach to Volatile Solubility Modeling Using an Open‐Source Python3 Engine
38
Citations
122
References
2022
Year
Magmatic ProcessVolcanic Gas ChemistryVolcanologyEngineeringChemical AnalysisCalibration DatasetComputational ChemistryChemistryEarth ScienceSolution (Chemistry)Thermodynamic ModellingMolecular ThermodynamicsCritical ApproachMolecular SimulationMelt InclusionsBiophysicsOpen‐source Python3 EngineGeologyVolatile Solubility ModelingVolatile SolubilityRock PropertiesEarth SciencesGeochemistryIgneous Process
Abstract Accurate models of H 2 O and CO 2 solubility in silicate melts are vital for understanding volcanic plumbing systems. These models are used to estimate the depths of magma storage regions from melt inclusion volatile contents, investigate the role of volatile exsolution as a driver of volcanic eruptions, and track the degassing path followed by a magma ascending to the surface. However, despite the large increase in the number of experimental constraints over the last two decades, many recent studies still utilize an earlier generation of models which were calibrated on experimental datasets with restricted compositional ranges. This may be because many of the available tools for more recent models require large numbers of input parameters to be hand‐typed (e.g., temperature, concentrations of H 2 O, CO 2 , and 8–14 oxides), making them difficult to implement on large datasets. Here, we use a new open‐source Python3 tool, VESIcal, to critically evaluate the behaviors and sensitivities of different solubility models for a range of melt compositions. Using literature datasets of andesitic‐dacitic experimental products and melt inclusions as case studies, we illustrate the importance of evaluating the calibration dataset of each model. Finally, we highlight the limitations of particular data presentation methods, such as isobar diagrams, and provide suggestions for alternatives, and best practices regarding the presentation and archiving of data. This review will aid the selection of the most applicable solubility model for different melt compositions, and identifies areas where additional experimental constraints on volatile solubility are required.
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