Partitioning of chromium between garnet and clinopyroxene: first-principle modelling versus metamorphic assemblages Article Swipe
Sarah Figowy
,
Benoît Dubacq
,
Yves Nöel
,
Philippe D’Arco
·
YOU?
·
· 2020
· Open Access
·
· DOI: https://doi.org/10.5194/ejm-32-387-2020
YOU?
·
· 2020
· Open Access
·
· DOI: https://doi.org/10.5194/ejm-32-387-2020
Understanding the geochemical behaviour of trace and minor elements in mineral assemblages is of primary importance to study small- and large-scale geological processes. Partition coefficients are frequently used to model the chemical evolution of minerals and fluids during melting and in metamorphic rocks of all grades. However, kinetic effects hampering equilibrium partitioning may invalidate the modelling. This study aims at calculating partition coefficients and testing their applicability in natural mineral assemblages, choosing Cr in garnet and clinopyroxene via exchange with Al as a case study. First-principle modelling has been combined with measurements and element mapping to estimate partition coefficients for Cr and the deviation from equilibrium. Results highlight the role of crystal chemistry over the strain field around point defects, controlling the dynamics of the Cr3+ = Al3+ exchange between clinopyroxene and garnet. Ab initio calculations allowed estimation of Cr partition coefficients between garnet and clinopyroxene, using a thermodynamic approach based on endmembers and mixing models simplified for trace element behaviour. The Cr3+ = Al3+ exchange reaction between garnet and the jadeite component of clinopyroxene depends on the grossular and pyrope content, with Cr preferentially incorporated into grossular over jadeite but preferentially incorporated into jadeite over pyrope. Comparison of predicted partition coefficients to measured concentrations in natural samples, together with element mapping, shows large disequilibrium. Cr-rich and Cr-poor sectors exhibit disequilibrium attributed to slow diffusivity of Cr during crystal growth and interface-coupled dissolution–precipitation, even for garnet–clinopyroxene assemblages crystallized around 850 ∘C.
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Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.5194/ejm-32-387-2020
- https://ejm.copernicus.org/articles/32/387/2020/ejm-32-387-2020.pdf
- OA Status
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- Cited By
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- References
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- Related Works
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- OpenAlex ID
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Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W3039280491Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.5194/ejm-32-387-2020Digital Object Identifier
- Title
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Partitioning of chromium between garnet and clinopyroxene: first-principle modelling versus metamorphic assemblagesWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2020Year of publication
- Publication date
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2020-07-03Full publication date if available
- Authors
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Sarah Figowy, Benoît Dubacq, Yves Nöel, Philippe D’ArcoList of authors in order
- Landing page
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https://doi.org/10.5194/ejm-32-387-2020Publisher landing page
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https://ejm.copernicus.org/articles/32/387/2020/ejm-32-387-2020.pdfDirect link to full text PDF
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goldOpen access status per OpenAlex
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https://ejm.copernicus.org/articles/32/387/2020/ejm-32-387-2020.pdfDirect OA link when available
- Concepts
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Pyrope, Trace element, Partition coefficient, Metamorphic rock, Grossular, Geology, Mineralogy, Disequilibrium, Thermodynamics, Geochemistry, Chemistry, Chromatography, Ophthalmology, Medicine, PhysicsTop concepts (fields/topics) attached by OpenAlex
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7Total citation count in OpenAlex
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2025: 2, 2024: 1, 2023: 2, 2022: 1, 2021: 1Per-year citation counts (last 5 years)
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55Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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