Class: ChemicalReactor

Abstract Reactor (chemdcat-ap) subclass representing a catalytic reactor

vessel.

__

Reactor is more specific than the general Device (AgenticEntity): it restricts

the used_reactor relation (is_a: carried_out_by) on Reaction to dedicated

reactor equipment. This semantic distinction separates analytical

instruments (Device) from reaction vessels (Reactor). ChemicalReactor

further specializes chemdcat-ap's generic Reactor for catalysis use cases.

__

Concrete subclasses (FixedBedReactor, CSTR, PlugFlowReactor, …) specify

reactor geometry and operating mode.

Linked from Reaction via used_reactor (restricted to range: ChemicalReactor).

NOTE: this is an abstract class and should not be instantiated directly

URI: VOC4CAT:0007018

 classDiagram
    class ChemicalReactor
    click ChemicalReactor href "../../classes/ChemicalReactor/"
      Reactor <|-- ChemicalReactor
        click Reactor href "../../classes/Reactor/"


      ChemicalReactor <|-- ElectrochemicalReactor
        click ElectrochemicalReactor href "../../classes/ElectrochemicalReactor/"
      ChemicalReactor <|-- CSTR
        click CSTR href "../../classes/CSTR/"
      ChemicalReactor <|-- PlugFlowReactor
        click PlugFlowReactor href "../../classes/PlugFlowReactor/"
      ChemicalReactor <|-- Autoclave
        click Autoclave href "../../classes/Autoclave/"
      ChemicalReactor <|-- SlurryReactor
        click SlurryReactor href "../../classes/SlurryReactor/"
      ChemicalReactor <|-- Microreactor
        click Microreactor href "../../classes/Microreactor/"
      ChemicalReactor <|-- FixedBedReactor
        click FixedBedReactor href "../../classes/FixedBedReactor/"
      ChemicalReactor <|-- FluidizedBedReactor
        click FluidizedBedReactor href "../../classes/FluidizedBedReactor/"


      ChemicalReactor : alternative_label

      ChemicalReactor : description

      ChemicalReactor : has_density





        ChemicalReactor --> "* _recommended_" Density : has_density
        click Density href "../../classes/Density/"



      ChemicalReactor : has_mass





        ChemicalReactor --> "* _recommended_" Mass : has_mass
        click Mass href "../../classes/Mass/"



      ChemicalReactor : has_part





        ChemicalReactor --> "*" Device : has_part
        click Device href "../../classes/Device/"



      ChemicalReactor : has_physical_state





        ChemicalReactor --> "0..1" PhysicalStateEnum : has_physical_state
        click PhysicalStateEnum href "../../enums/PhysicalStateEnum/"



      ChemicalReactor : has_pressure





        ChemicalReactor --> "* _recommended_" Pressure : has_pressure
        click Pressure href "../../classes/Pressure/"



      ChemicalReactor : has_qualitative_attribute





        ChemicalReactor --> "* _recommended_" QualitativeAttribute : has_qualitative_attribute
        click QualitativeAttribute href "../../classes/QualitativeAttribute/"



      ChemicalReactor : has_quantitative_attribute





        ChemicalReactor --> "* _recommended_" QuantitativeAttribute : has_quantitative_attribute
        click QuantitativeAttribute href "../../classes/QuantitativeAttribute/"



      ChemicalReactor : has_temperature





        ChemicalReactor --> "* _recommended_" Temperature : has_temperature
        click Temperature href "../../classes/Temperature/"



      ChemicalReactor : has_volume





        ChemicalReactor --> "* _recommended_" Volume : has_volume
        click Volume href "../../classes/Volume/"



      ChemicalReactor : id

      ChemicalReactor : other_identifier





        ChemicalReactor --> "*" Identifier : other_identifier
        click Identifier href "../../classes/Identifier/"



      ChemicalReactor : part_of





        ChemicalReactor --> "*" AgenticEntity : part_of
        click AgenticEntity href "../../classes/AgenticEntity/"



      ChemicalReactor : rdf_type





        ChemicalReactor --> "0..1 _recommended_" DefinedTerm : rdf_type
        click DefinedTerm href "../../classes/DefinedTerm/"



      ChemicalReactor : title

      ChemicalReactor : type





        ChemicalReactor --> "0..1" DefinedTerm : type
        click DefinedTerm href "../../classes/DefinedTerm/"

Inheritance

AgenticEntity [ ClassifierMixin]
- Device
  - Reactor [ MaterialisticMixin]
    - ChemicalReactor

Slots

Name	Cardinality and Range	Description	Inheritance
alternative_label	0..1 String	The slot to specify an alternative label, name or title for a MaterialEntity.	MaterialisticMixin
has_physical_state	0..1 PhysicalStateEnum	The slot to specify the physical state of a MaterialEntity.	MaterialisticMixin
has_temperature	* recommended Temperature	The slot to provide the Temperature of a MaterialEntity or an Activity, whereas the temperature of the Activity is ontologically rooted in the temperature of the material entities that participate in the Activity.	MaterialisticMixin
has_mass	* recommended Mass	The slot to provide the Mass of a MaterialEntity.	MaterialisticMixin
has_volume	* recommended Volume	The slot to provide the Volume of a MaterialEntity.	MaterialisticMixin
has_density	* recommended Density	The slot to provide the Density of a MaterialEntity.	MaterialisticMixin
has_pressure	* recommended Pressure	The slot to provide data about the pressure of a MaterialEntity or an Activity, whereas the Pressure of an Activity is ontologically a quality borne by the material entities participating in the Activity.	MaterialisticMixin
id	1 Uriorcurie	A slot to provide an URI for an entity within this schema.	AgenticEntity
title	0..1 String	This slot is described in more detail within the class in which it is used.	AgenticEntity
description	0..1 String	This slot is described in more detail within the class in which it is used.	AgenticEntity
other_identifier	* Identifier	A slot to provide a secondary identifier for a Device.	AgenticEntity
has_qualitative_attribute	* recommended QualitativeAttribute	The slot to relate a qualitative attribute to an EvaluatedEntity, EvaluatedActivity or AgenticEntity	AgenticEntity
has_quantitative_attribute	* recommended QuantitativeAttribute	The slot to relate a quantitative attribute to an EvaluatedEntity, EvaluatedActivity or AgenticEntity	AgenticEntity
has_part	* Device	The slot to specify parts of a Device that are themselves Devices.	AgenticEntity
part_of	* AgenticEntity	The slot to provide the AgenticEntity of which theAgenticEntity is a part.	AgenticEntity
type	0..1 DefinedTerm	This slot is described in more detail within the class in which it is used.	ClassifierMixin
rdf_type	0..1 recommended DefinedTerm	The slot to specify the ontology class that is instantiated by an entity.	ClassifierMixin

Usages

used by	used in	type	used
CatalyticReaction	used_reactor	range	ChemicalReactor

Identifier and Mapping Information

Schema Source

from schema: https://w3id.org/nfdi4cat/coremeta4cat

Mappings

Mapping Type	Mapped Value
self	VOC4CAT:0007018
native	coremeta4cat:ChemicalReactor

LinkML Source

Direct

name: ChemicalReactor
description: 'Abstract Reactor (chemdcat-ap) subclass representing a catalytic reactor

  vessel.


  Reactor is more specific than the general Device (AgenticEntity): it restricts

  the used_reactor relation (is_a: carried_out_by) on Reaction to dedicated

  reactor equipment. This semantic distinction separates analytical

  instruments (Device) from reaction vessels (Reactor). ChemicalReactor

  further specializes chemdcat-ap''s generic Reactor for catalysis use cases.


  Concrete subclasses (FixedBedReactor, CSTR, PlugFlowReactor, …) specify

  reactor geometry and operating mode.

  Linked from Reaction via used_reactor (restricted to range: ChemicalReactor).'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
is_a: Reactor
abstract: true
class_uri: VOC4CAT:0007018

Induced

name: ChemicalReactor
description: 'Abstract Reactor (chemdcat-ap) subclass representing a catalytic reactor

  vessel.


  Reactor is more specific than the general Device (AgenticEntity): it restricts

  the used_reactor relation (is_a: carried_out_by) on Reaction to dedicated

  reactor equipment. This semantic distinction separates analytical

  instruments (Device) from reaction vessels (Reactor). ChemicalReactor

  further specializes chemdcat-ap''s generic Reactor for catalysis use cases.


  Concrete subclasses (FixedBedReactor, CSTR, PlugFlowReactor, …) specify

  reactor geometry and operating mode.

  Linked from Reaction via used_reactor (restricted to range: ChemicalReactor).'
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
is_a: Reactor
abstract: true
attributes:
  alternative_label:
    name: alternative_label
    description: The slot to specify an alternative label, name or title for a MaterialEntity.
    todos:
    - Should probably rather declared on Entity or in some common metadata mixin instead.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: skos:altLabel
    alias: alternative_label
    owner: ChemicalReactor
    domain_of:
    - MaterialisticMixin
    range: string
  has_physical_state:
    name: has_physical_state
    description: The slot to specify the physical state of a MaterialEntity.
    todos:
    - Find out how to make this a subproperty of has_qualitative_attribute, as it
      currently throws the error 'physical_state enumerations cannot be inlined' due
      to the fact that we are using an enum here.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: SIO:000008
    alias: has_physical_state
    owner: ChemicalReactor
    domain_of:
    - MaterialisticMixin
    range: PhysicalStateEnum
    multivalued: false
    inlined: false
  has_temperature:
    name: has_temperature
    description: The slot to provide the Temperature of a MaterialEntity or an Activity,
      whereas the temperature of the Activity is ontologically rooted in the temperature
      of the material entities that participate in the Activity.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_temperature
    owner: ChemicalReactor
    domain_of:
    - SonochemicalSynthesis
    - PhotoluminescenceMixin
    - ElectrochemistryMixin
    - PowderXRD
    - SingleCrystalXRD
    - XRayAbsorptionSpectroscopy
    - InfraredSpectroscopy
    - DRIFTS
    - RamanSpectroscopy
    - NMRSpectroscopy
    - DynamicLightScattering
    - SizeExclusionChromatography
    - HighPerformanceLiquidChromatographyMassSpectrometry
    - ChemicalReaction
    - MaterialisticMixin
    - Microkinetics
    - MonteCarlo
    - AqueousStability
    range: Temperature
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_mass:
    name: has_mass
    description: The slot to provide the Mass of a MaterialEntity.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_mass
    owner: ChemicalReactor
    domain_of:
    - MaterialisticMixin
    range: Mass
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_volume:
    name: has_volume
    description: The slot to provide the Volume of a MaterialEntity.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_volume
    owner: ChemicalReactor
    domain_of:
    - MaterialisticMixin
    range: Volume
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_density:
    name: has_density
    description: The slot to provide the Density of a MaterialEntity.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_density
    owner: ChemicalReactor
    domain_of:
    - MaterialisticMixin
    range: Density
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_pressure:
    name: has_pressure
    description: The slot to provide data about the pressure of a MaterialEntity or
      an Activity, whereas the Pressure of an Activity is ontologically a quality
      borne by the material entities participating in the Activity.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_pressure
    owner: ChemicalReactor
    domain_of:
    - ChemicalReaction
    - MaterialisticMixin
    - Microkinetics
    range: Pressure
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  id:
    name: id
    description: A slot to provide an URI for an entity within this schema.
    in_subset:
    - domain_agnostic_core
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    identifier: true
    alias: id
    owner: ChemicalReactor
    domain_of:
    - CatalysisPlan
    - Activity
    - AgenticEntity
    - Dataset
    - DefinedTerm
    - Document
    - Entity
    - LegalResource
    - LicenseDocument
    - Resource
    range: uriorcurie
    required: true
  title:
    name: title
    description: This slot is described in more detail within the class in which it
      is used.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: dcterms:title
    alias: title
    owner: ChemicalReactor
    domain_of:
    - QuantitativeRange
    - Activity
    - AgenticEntity
    - Any
    - Attribution
    - Catalogue
    - CatalogueRecord
    - ChecksumAlgorithm
    - Concept
    - ConceptScheme
    - DataService
    - Dataset
    - DatasetSeries
    - DefinedTerm
    - Distribution
    - Document
    - Entity
    - Frequency
    - Geometry
    - Identifier
    - LegalResource
    - LicenseDocument
    - LinguisticSystem
    - MediaType
    - MediaTypeOrExtent
    - PeriodOfTime
    - Plan
    - Policy
    - ProvenanceStatement
    - QualitativeAttribute
    - QuantitativeAttribute
    - Resource
    - RightsStatement
    - Role
    - Standard
    - SupportiveEntity
    - Surrounding
    - TimeInstant
    range: string
  description:
    name: description
    description: This slot is described in more detail within the class in which it
      is used.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: dcterms:description
    alias: description
    owner: ChemicalReactor
    domain_of:
    - QuantitativeRange
    - Activity
    - AgenticEntity
    - Any
    - Attribution
    - Catalogue
    - CatalogueRecord
    - ChecksumAlgorithm
    - Concept
    - ConceptScheme
    - DataService
    - Dataset
    - DatasetSeries
    - Distribution
    - Document
    - Entity
    - Frequency
    - Geometry
    - Identifier
    - LegalResource
    - LicenseDocument
    - LinguisticSystem
    - MediaType
    - MediaTypeOrExtent
    - PeriodOfTime
    - Plan
    - Policy
    - ProvenanceStatement
    - QualitativeAttribute
    - QuantitativeAttribute
    - Resource
    - RightsStatement
    - Role
    - Standard
    - SupportiveEntity
    - Surrounding
    - TimeInstant
    range: string
  other_identifier:
    name: other_identifier
    description: A slot to provide a secondary identifier for a Device.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: adms:identifier
    alias: other_identifier
    owner: ChemicalReactor
    domain_of:
    - Activity
    - AgenticEntity
    - Dataset
    - Entity
    range: Identifier
    required: false
    multivalued: true
    inlined_as_list: true
  has_qualitative_attribute:
    name: has_qualitative_attribute
    description: The slot to relate a qualitative attribute to an EvaluatedEntity,
      EvaluatedActivity or AgenticEntity
    in_subset:
    - domain_agnostic_core
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: dcterms:relation
    alias: has_qualitative_attribute
    owner: ChemicalReactor
    domain_of:
    - Activity
    - AgenticEntity
    - Entity
    range: QualitativeAttribute
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_quantitative_attribute:
    name: has_quantitative_attribute
    description: The slot to relate a quantitative attribute to an EvaluatedEntity,
      EvaluatedActivity or AgenticEntity
    in_subset:
    - domain_agnostic_core
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: dcterms:relation
    alias: has_quantitative_attribute
    owner: ChemicalReactor
    domain_of:
    - Activity
    - AgenticEntity
    - Entity
    range: QuantitativeAttribute
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_part:
    name: has_part
    description: The slot to specify parts of a Device that are themselves Devices.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: dcterms:hasPart
    alias: has_part
    owner: ChemicalReactor
    domain_of:
    - Activity
    - AgenticEntity
    - Catalogue
    - Entity
    range: Device
    multivalued: true
    inlined: true
    inlined_as_list: true
  part_of:
    name: part_of
    description: The slot to provide the AgenticEntity of which theAgenticEntity is
      a part.
    notes:
    - not in DCAT-AP
    in_subset:
    - domain_agnostic_core
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: dcterms:isPartOf
    alias: part_of
    owner: ChemicalReactor
    domain_of:
    - Activity
    - AgenticEntity
    - Entity
    inverse: has_part
    range: AgenticEntity
    multivalued: true
    inlined_as_list: true
  type:
    name: type
    description: This slot is described in more detail within the class in which it
      is used.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: dcterms:type
    alias: type
    owner: ChemicalReactor
    domain_of:
    - Agent
    - ClassifierMixin
    - Dataset
    - LicenseDocument
    range: DefinedTerm
    inlined: true
  rdf_type:
    name: rdf_type
    description: The slot to specify the ontology class that is instantiated by an
      entity.
    in_subset:
    - domain_agnostic_core
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: rdf:type
    alias: rdf_type
    owner: ChemicalReactor
    domain_of:
    - ClassifierMixin
    range: DefinedTerm
    recommended: true
    inlined: true
class_uri: VOC4CAT:0007018