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ahashibon avatar ahashibon commented on May 28, 2024

Another option is of course to add a chemical content that has both an element and a quanitity (the mass fraction for example) and having_.

  • chemical composition has part some chemical content
  • chemical content has part element
  • chemical content has part value.

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jesper-friis avatar jesper-friis commented on May 28, 2024

Yes, the latter is the right way to go. I would rewrite it as:

ChemicalComposition hasSpatialPart some ChemicalContent

ChemicalContent isA PhysicalQuantity
ChemicalContent hasSpatialPart exactly 1 ChemicalComponent
ChemicalContent hasSpatialPart exactly 1 Real                 (inherited from PhysicalQuantity)

The subclasses of ChemicalComponent should be all possible chemical components, both pure elements as well as other components like CO2, SiO2, ... When possible, they should refer to an external standard, like the IUPAC Gold Book.

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jesper-friis avatar jesper-friis commented on May 28, 2024

A draft implementation is pushed to https://github.com/jesper-friis/emmo-units and https://gitlab.cc-asp.fraunhofer.de/mat-info/ontology/emmo-units for review.

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ahashibon avatar ahashibon commented on May 28, 2024

@jesper-friis is it necessary to have chemcial composition part of the emmo-unit or can it be part of a emmo-chemical-composition or a chemical ontology branch.

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jesper-friis avatar jesper-friis commented on May 28, 2024

Currently ChemicalComposition is defined in emmo-si-units, but it is definitely possible to factor it out. It would make sense, since it is (as far as I know) not defined in the SI system.

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jesper-friis avatar jesper-friis commented on May 28, 2024

This is outside the scope of mid-level EMMO, but very interesting to follow up in domain ontologies.

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