Skip to content

Slot: has_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.

URI: SIO:000008 Alias: has_temperature

Inheritance

Applicable Classes

Name Description Modifies Slot
MonteCarlo Monte Carlo simulation — a stochastic method that samples configuration
space using random moves accepted or rejected according to a statistical
criterion (e.g. Metropolis). Used for adsorption isotherms, phase diagrams,
and lattice-based kinetics.
no
PowderXRD Powder X-ray diffraction for phase identification and structural analysis. no
Precursor A MaterialSample that serves as input material in a catalyst Synthesis.
Precursors are consumed or transformed during the preparation process.
no
PhotoluminescenceLifetime Time-resolved photoluminescence for charge carrier lifetime and recombination dynamics. no
Reagent A ChemicalSubstance that is consumed or transformed in a ChemicalReaction. no
Microreactor Microreactor — a miniaturised flow reactor with characteristic dimensions
in the sub-millimetre range, enabling precise thermal control and rapid
screening.
no
PhotoluminescenceSpectroscopy Photoluminescence spectroscopy for defect and charge carrier characterization. no
PlugFlowReactor Plug flow reactor (PFR) — a tubular reactor in which reactant composition
varies along the axis with no axial mixing.
no
FluidizedBedReactor Fluidized bed reactor — a reactor in which the catalyst particles are
suspended in an upward-flowing gas or liquid stream.
no
InfraredSpectroscopy Infrared spectroscopy (FTIR/ATR) for functional group and surface species identification. no
Microkinetics Microkinetic modelling — a mean-field kinetic approach that integrates
elementary reaction steps and their rate constants to predict catalytic
activity and selectivity under reaction conditions.
no
DRIFTS Diffuse reflectance infrared Fourier transform spectroscopy for in-situ
surface species identification under reactive gas conditions.
no
NMRSpectroscopy Nuclear magnetic resonance spectroscopy for structure elucidation.
Note: for detailed liquid-state NMR minimum information, the dedicated
nmr_dcat_ap profile (MARGARITAS) should be used in combination with
this subprofile.
no
SonochemicalSynthesis Catalyst preparation using ultrasonic irradiation to drive chemical
reactions via acoustic cavitation.
no
MaterialisticMixin A LinkML mixin used to pass down properties common to all material entities. It is needed for example to have MaterialSample have the same properties as MaterialEntity, although it is defined as a subclass of EvaluatedEntity. no
HighPerformanceLiquidChromatographyMassSpectrometry High-performance liquid chromatography-mass spectrometry for compound identification and quantification. no
PolymerMixin A LinkML mixin used to pass down properties common to all chemical substances that are composed of macromolecules of different kinds and which may be differentiated by composition, length, degree of branching etc.. no
CyclicVoltammetry Cyclic voltammetry for electrochemical activity, redox potential, and capacitance characterization. no
ChemicalSubstanceMixin A LinkML mixin used to pass down properties common to all material entities that are described in a chemical context via being composed of chemical entities (e.g. atom, molecule, ion, ion pair, radical, complex, conformer etc., ) of the same type or of different types. no
XRayAbsorptionSpectroscopy X-ray absorption spectroscopy (XAS/XANES/EXAFS) for electronic and local structure analysis. no
SlurryReactor Slurry reactor — a three-phase reactor in which catalyst particles are
suspended in a liquid phase through which gas is bubbled.
no
CSTR Continuous stirred tank reactor (CSTR) — a well-mixed, continuous-flow
reactor operating at steady state.
no
MaterialSample A Sample that was derived from a previous MaterialSample or some other kind of MaterialEntity. no
ElectrochemistryMixin Mixin providing electrochemical cell parameters shared by
electrochemical characterization techniques (CyclicVoltammetry,
ConductivityMeasurement).
no
DissolvingSubstance A liquid ChemicalSubstance that dissolves or that is capable of dissolving a ChemicalSubstance. no
ConductivityMeasurement Electrical conductivity measurement for ionic and electronic transport characterization. no
FixedBedReactor Fixed bed reactor — a tubular reactor packed with a stationary catalyst bed.
The most common reactor type in heterogeneous catalysis testing.
no
SubstanceSample A MaterialSample derived from a chemical substance that is of interest in an analytical procedure. no
CatalystSample A MaterialSample that is the product of a catalyst Synthesis.
The specific type of catalyst (e.g. heterogeneous, supported metal)
is expressed via rdf_type using a VOC4CAT term.
no
DynamicLightScattering Dynamic light scattering for hydrodynamic particle size distribution in suspension. no
CatalyticReaction A ChemicalReaction (chemdcat-ap) specialization representing the
catalytic reaction being studied. Inherits the generic reaction slots
(starting materials, reactants, products, catalyst, solvent, reactor,
temperature, pressure, yield, reaction steps) from ChemicalReaction and
adds catalysis-specific operating-condition slots.

Reaction is NOT a DataGeneratingActivity — it is the catalytic process
being observed, not the process that generates the dataset. A CatalysisDataset
is linked to the Reaction it is about via is_about_activity.

For operando experiments (e.g. in-situ XRD during a reaction), the dataset
carries both:
was_generated_by: Characterization (the measurement producing data)
is_about_activity: Reaction (the catalytic process being monitored)

The reactor is linked via the inherited used_reactor slot (is_a:
carried_out_by), narrowed here to require a ChemicalReactor instance
rather than touching the generic carried_out_by relation directly.
Reactants are linked via the inherited used_reactant slot (range:
Reagent) -- CatalyticReaction does not declare its own reactant slot.
The type of catalytic reaction (e.g. ammonia synthesis, CO oxidation)
is expressed via rdf_type using a voc4cat or ChemO term.
no
Catalyst A ChemicalSubstance or MaterialEntity that initiates or accelerates a ChemicalReaction without itself being affected. no
Autoclave Autoclave reactor — a sealed pressure vessel for batch reactions at
elevated temperature and/or pressure.
no
ChemicalReaction A process that leads to the transformation of one set of chemical substances to another and that is the subject matter of a DataGeneratingActivity. yes
SingleCrystalXRD Single crystal X-ray diffraction for structure determination. no
RamanSpectroscopy Raman spectroscopy for vibrational and structural characterization. no
Reactor A reactor is a container for controlling a biological or chemical reaction or process. no
SizeExclusionChromatography Size exclusion chromatography for molecular weight distribution determination. no
MaterialEntity A material is an Entity that has some portion of matter as proper part. no
PolymerSample A SubstanceSample derived from a Polymer. no
ElectrochemicalReactor Electrochemical reactor used in electrocatalytic experiments, including
H-cells, flow cells, and membrane electrode assemblies.
no
AqueousStability Electrochemical (Pourbaix) stability of a catalyst in aqueous solution as
a function of pH and electrode potential. Critical for electrocatalyst
stability screening.
no
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).
no
PhotoluminescenceMixin Mixin providing optical excitation/emission parameters shared by
photoluminescence techniques (PhotoluminescenceSpectroscopy,
PhotoluminescenceLifetime).
no
StartingMaterial A ChemicalSubstance with that has a starting material role in a synthesis. no
ChemicalProduct A chemical substance that is produced by a ChemicalReaction. no

Properties

  • Range: Temperature

  • Multivalued: True

  • Recommended: True

Identifier and Mapping Information

Schema Source

Mappings

Mapping Type Mapped Value
self SIO:000008
native coremeta4cat:has_temperature

LinkML Source

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
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