Describing Electrochemical Systems#
This chapter introduces how to describe real electrochemical systems — from individual materials to complete devices — using the Electrochemistry Domain Ontology.
Rather than focusing on definitions, this section shows how to build descriptions of things using ontology classes and relationships. Whether you are describing a single electrode, a test cell, or a complete battery, the same principles apply:
Identify what kind of thing you are describing (e.g., an electrode, electrolyte, or cell).
Define its parts or composition using hasPart and its subproperties.
Assign relevant properties such as mass, thickness, or potential.
Link it to processes or measurements that involve it.
By following these simple patterns, you can describe almost any electrochemical entity in a clear, machine-readable way.
Core Patterns for Describing Systems#
1. Start from the whole#
An electrochemical system can be represented as a PhysicalObject. An electrochemical cell, an electrode, or a material are all subclasses of PhysicalObject.
Use parthood relations to connect the whole to its parts. Parthood relations include general terms like hasPart, hasConstituent, hasComponent, as well as domain-specific relations like hasElectrode, hasElectrolyte, etc.
Here, hasElectrode, hasElectrolyte, and hasSeparator are domain-specific subproperties of hasPart, providing semantic precision while remaining interoperable.
ElectrochemicalCell vs. ElectrochemicalDevice
These two classes often cause confusion because they both describe “things that do electrochemistry” — but they have different scopes:
ElectrochemicalCell represents the physical system in which electrochemical reactions occur. It focuses on the internal structure — electrodes, electrolyte, separator, and their physical configuration.
ElectrochemicalDevice represents a functional or engineered system designed to perform an electrochemical task or deliver a service. It may contain one or more cells and additional components like control electronics, sensors, housing, or power management units.
In short:
Use ElectrochemicalCell when describing the reactive unit that comprises two electrodes in contact with an electrolyte.
Use ElectrochemicalDevice when describing the complete system that uses one or more cells - together with the case, terminals and other support hardware - to perform a function.
2. Describe each part in more detail#
Each part can itself be decomposed into smaller parts or described by its material composition.
3. Add properties and quantities#
Each object can have measurable or defined properties (mass, thickness, composition, etc.). Attach these using hasProperty.
You can also distinguish whether the value is measured, modelled, or conventional by using subclasses such as: - MeasuredProperty - ModelledProperty - ConventionalProperty
4. Link to processes and measurements#
Objects can participate in electrochemical processes or measurements. Use hasParticipant, hasInput, and hasOutput to describe their role in a process.
This pattern links the physical system (ElectrochemicalCell) to the activity (ChargingProcess) that changes its state.
Example: Putting It All Together#
Here is a minimal but complete description of an electrochemical device built using the ontology:
This structure is modular, readable, and machine-interpretable — enabling you to query, validate, and link the data across experiments, simulations, and repositories.
Best Practices#
Use domain-specific subproperties like hasElectrode, hasElectrolyte, and hasSeparator where available.
For composition, prefer hasConstituent (for mixtures) or hasComponent (for assemblies).
Keep each level of description meaningful: cell → electrode → coating → material.
Always attach quantitative values using hasProperty with hasNumericalPart and hasMeasurementUnit.
Use unique IRIs (or dataset-local identifiers) for each distinct physical instance.