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Class: Microkinetics

Microkinetics simulation

URI: catcore:Microkinetics

classDiagram class Microkinetics click Microkinetics href "../Microkinetics/" SimulationMethod <|-- Microkinetics click SimulationMethod href "../SimulationMethod/" Microkinetics : activation_energy Microkinetics : identifier Microkinetics : pressure Microkinetics : rate_constants Microkinetics : solver_type Microkinetics : surface_coverage Microkinetics : temperature

Inheritance

Slots

Name Cardinality and Range Description Inheritance
rate_constants *
String		 Rate constants or Arrhenius parameters direct
solver_type *
String		 Type of solver used direct
temperature *
Float		 Temperature direct
pressure *
Float		 Pressure in simulation direct
surface_coverage *
Float		 Surface coverage of species direct
activation_energy *
Float		 Activation energy for each step direct
identifier 0..1
String		 Unique identifier for the entity CatCoreEntity

Identifier and Mapping Information

Schema Source

  • from schema: https://w3id.org/nfdi4cat/catcore

Mappings

Mapping Type Mapped Value
self catcore:Microkinetics
native catcore:Microkinetics

LinkML Source

Direct

name: Microkinetics
description: Microkinetics simulation
from_schema: https://w3id.org/nfdi4cat/catcore
is_a: SimulationMethod
slots:
- rate_constants
- solver_type
- temperature
- pressure
- surface_coverage
- activation_energy
class_uri: catcore:Microkinetics

Induced

name: Microkinetics
description: Microkinetics simulation
from_schema: https://w3id.org/nfdi4cat/catcore
is_a: SimulationMethod
attributes:
  rate_constants:
    name: rate_constants
    description: Rate constants or Arrhenius parameters
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: NCIT:C94967
    alias: rate_constants
    owner: Microkinetics
    domain_of:
    - Microkinetics
    range: string
    multivalued: true
  solver_type:
    name: solver_type
    description: Type of solver used
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: catcore:solver_type
    alias: solver_type
    owner: Microkinetics
    domain_of:
    - Microkinetics
    range: string
    multivalued: true
  temperature:
    name: temperature
    description: Temperature
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: AFR:0001584
    alias: temperature
    owner: Microkinetics
    domain_of:
    - SonochemicalSynthesis
    - Sublimation
    - PowderXRD
    - XRayAbsorptionSpectroscopy
    - InfraredSpectroscopy
    - RamanSpectroscopy
    - NMRSpectroscopy
    - DRIFTS
    - CyclicVoltammetry
    - DynamicLightScattering
    - PhotoluminescenceSpectroscopy
    - PhotoluminescenceLifetime
    - SizeExclusionChromatography
    - HPLC_MS
    - SingleCrystalXRD
    - ConductivityMeasurement
    - Microkinetics
    - MonteCarlo
    - AqueousStability
    range: float
    multivalued: true
    unit:
      ucum_code: Cel
  pressure:
    name: pressure
    description: Pressure in simulation
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: catcore:pressure
    alias: pressure
    owner: Microkinetics
    domain_of:
    - Microkinetics
    range: float
    multivalued: true
    unit:
      ucum_code: bar
  surface_coverage:
    name: surface_coverage
    description: Surface coverage of species
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: catcore:surface_coverage
    alias: surface_coverage
    owner: Microkinetics
    domain_of:
    - Microkinetics
    range: float
    multivalued: true
  activation_energy:
    name: activation_energy
    description: Activation energy for each step
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: catcore:activation_energy
    alias: activation_energy
    owner: Microkinetics
    domain_of:
    - Microkinetics
    range: float
    multivalued: true
    unit:
      ucum_code: eV
  identifier:
    name: identifier
    description: Unique identifier for the entity
    from_schema: https://w3id.org/nfdi4cat/catcore
    rank: 1000
    slot_uri: catcore:identifier
    alias: identifier
    owner: Microkinetics
    domain_of:
    - CatCoreEntity
    range: string
class_uri: catcore:Microkinetics