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dc.contributor.authorIacovino, K
dc.contributor.authorMatthews, S
dc.contributor.authorWieser, PE
dc.contributor.authorMoore, GM
dc.contributor.authorBégué, F
dc.date.accessioned2021-11-04T00:15:33Z
dc.date.available2021-11-04T00:15:33Z
dc.date.issued2021-11
dc.date.submitted2020-11-30
dc.identifier.issn2333-5084
dc.identifier.otheress2955
dc.identifier.other2020ea001584
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/330247
dc.description.abstractAbstract: Thermodynamics has been fundamental to the interpretation of geologic data and modeling of geologic systems for decades. However, more recent advancements in computational capabilities and a marked increase in researchers' accessibility to computing tools has outpaced the functionality and extensibility of currently available modeling tools. Here, we present VESIcal (Volatile Equilibria and Saturation Identification calculator): the first comprehensive modeling tool for H 2 O, C O 2 , and mixed ( H 2 O‐ C O 2 ) solubility in silicate melts that: (a) allows users access to seven of the most popular models, plus easy inter‐comparison between models; (b) provides universal functionality for all models (e.g., functions for calculating saturation pressures, degassing paths, etc.); (c) can process large datasets (1,000s of samples) automatically; (d) can output computed data into an Excel spreadsheet or CSV file for simple post‐modeling analysis; (e) integrates plotting capabilities directly within the tool; and (f) provides all of these within the framework of a python library, making the tool extensible by the user and allowing any of the model functions to be incorporated into any other code capable of calling python. The tool is presented within this manuscript, which may be read as a static PDF but is better experienced via the Jupyter Notebook version of this manuscript. Here, we present worked examples accessible to python users with a range of skill levels. The basic functions of VESIcal can also be accessed via a web app (https://vesical.anvil.app). The VESIcal python library is open‐source and available for download at https://github.com/kaylai/VESIcal, or it can be installed using pip. It is recommended to read and interact with this manuscript as an executable Jupyter Notebook, available at https://mybinder.org/v2/gh/kaylai/vesical-binder/HEAD?filepath=Manuscript.ipynb.
dc.languageen
dc.publisherAmerican Geophysical Union (AGU)
dc.subjectCRYOSPHERE
dc.subjectThermodynamics
dc.subjectGEOCHEMISTRY
dc.subjectMagma chamber processes
dc.subjectGeochemical modeling
dc.subjectMINERALOGY AND PETROLOGY
dc.subjectIgneous petrology
dc.subjectVOLCANOLOGY
dc.subjectVolcanic gases
dc.subjectResearch Article
dc.subjectH2O and CO2 in magmas
dc.subjectigneous petrology
dc.subjectmelt inclusions
dc.subjectthermodynamic modeling
dc.subjectvolatile solubility in magmas
dc.subjectvolcanology
dc.titleVESIcal Part I: An Open-Source Thermodynamic Model Engine for Mixed Volatile (H<inf>2</inf>O-CO<inf>2</inf>) Solubility in Silicate Melts
dc.typeArticle
dc.date.updated2021-11-04T00:15:32Z
prism.issueIdentifier11
prism.publicationNameEarth and Space Science
prism.volume8
dc.identifier.doi10.17863/CAM.77688
dcterms.dateAccepted2021-06-12
rioxxterms.versionofrecord10.1029/2020EA001584
rioxxterms.versionAO
rioxxterms.versionVoR
rioxxterms.licenseref.urihttp://creativecommons.org/licenses/by/4.0/
dc.contributor.orcidIacovino, K [0000-0002-2461-7748]
dc.contributor.orcidMoore, GM [0000-0002-1556-6432]
dc.identifier.eissn2333-5084
pubs.funder-project-idNERC DTP studentship (NE/L002507/1)
cam.issuedOnline2021-11-03


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