Electrolyte Solution

IRI: https://w3id.org/emmo/domain/electrochemistry#electrochemistry_fa22874b_76a9_4043_8b8f_6086c88746de

Description

An electrolyte solution is a critical component in an electrochemical system that enables ionic conductivity, allowing charge to move between electrodes. Electrolyte solutions are typically mixtures of solvents, solutes, and additives, and their composition significantly impacts the performance, stability, and lifetime of the electrochemical system.

Guidelines for Use

To represent an Electrolyte Solution in the ontology, follow these five key steps:

Step 1: Identifying the Electrolyte Solution

Define the electrolyte using the ElectrolyteSolution class. If desired, use a suitable subclass such as: - AqueousElectrolyte - AcidicElectrolyte - AlkalineElectrolyte - OrganicElectrolyte

Example: Defining a generic Aqueous Electrolyte:

{
  "@context": "https://w3id.org/emmo/domain/electrochemistry/context",
  "@type": "AqueousElectrolyte"
}

Step 2: State the Composition of the Electrolyte Solution

Electrolyte solutions are typically mixtures of multiple components. Use the object properties: - hasSolvent to define the main solvent of the electrolyte. - hasSolute to specify the dissolved ionic species. - hasAdditive to include any stabilizers or functional additives.

Example: Defining an aqueous potassium hydroxide electrolyte:

{
  "@context": "https://w3id.org/emmo/domain/electrochemistry/context",
  "@type": "AqueousElectrolyte",
  "hasSolvent": {
    "@type": "Water"
  },
  "hasSolute": {
    "@type": "PotassiumHydroxide"
  }
}

Step 3: Assign Properties to the Components

Each component of the electrolyte can be described with annotation and objective properties.

• Annotation Properties: - molecularFormula: Defines the chemical composition.

• Objective Properties: - MassFraction: Defines the proportion of the component in the mixture. - AmountConcentration: Specifies the concentration of the solute.

Example: Adding properties to Potassium Hydroxide:

{
  "@context": "https://w3id.org/emmo/domain/electrochemistry/context",
  "@type": "AqueousElectrolyte",
  "hasSolvent": {
    "@type": "Water"
  },
  "hasSolute": {
    "@type": "PotassiumHydroxide",
    "molecularFormula": "KOH",
    "hasProperty": [
      {
        "@type": "AmountConcentration",
        "hasNumericalPart": {
          "@type": "RealData",
          "hasNumericalValue": 1.0
        },
        "hasMeasurementUnit": "emmo:MolePerLitre"
      }
    ]
  }
}

Step 4: Assign Properties to the Electrolyte Solution

Beyond the properties of individual components, the electrolyte solution itself has measurable properties:

• Objective Properties: - IonicConductivity: Represents the ionic transport efficiency. - Viscosity: Describes the fluid dynamics.

Example: Assigning properties to an Aqueous Potassium Hydroxide Electrolyte:

{
  "@context": "https://w3id.org/emmo/domain/electrochemistry/context",
  "@type": "AqueousElectrolyte",
  "hasProperty": [
    {
      "@type": "IonicConductivity",
      "hasNumericalPart": {
        "@type": "RealData",
        "hasNumericalValue": 0.12
      },
      "hasMeasurementUnit": "emmo:SiemensPerCentimetre"
    },
    {
      "@type": "Viscosity",
      "hasNumericalPart": {
        "@type": "RealData",
        "hasNumericalValue": 1.0
      },
      "hasMeasurementUnit": "emmo:MilliPascalSecond"
    }
  ],
  "hasSolvent": {
    "@type": "Water"
  },
  "hasSolute": {
    "@type": "PotassiumHydroxide",
    "molecularFormula": "KOH",
    "hasProperty": [
      {
        "@type": "AmountConcentration",
        "hasNumericalPart": {
          "@type": "RealData",
          "hasNumericalValue": 1.0
        },
        "hasMeasurementUnit": "emmo:MolePerLitre"
      }
    ]
  }
}

Step 5: Linking the Electrolyte to a Functional Whole

The final step is to associate the Electrolyte Solution with a functional component, such as a BatteryCell or ElectrochemicalSystem, using the hasElectrolyte property.

Example: Linking an Aqueous Potassium Hydroxide Electrolyte to a Battery Cell:

{
  "@context": "https://w3id.org/emmo/domain/electrochemistry/context",
  "@type": "BatteryCell",
  "hasElectrolyte": {
    "@type": "AqueousElectrolyte",
    "hasProperty": [
      {
        "@type": "IonicConductivity",
        "hasNumericalPart": {
          "@type": "RealData",
          "hasNumericalValue": 0.12
        },
        "hasMeasurementUnit": "emmo:SiemensPerCentimetre"
      },
      {
        "@type": "Viscosity",
        "hasNumericalPart": {
          "@type": "RealData",
          "hasNumericalValue": 1.0
        },
        "hasMeasurementUnit": "emmo:MilliPascalSecond"
      }
    ],
    "hasSolvent": {
      "@type": "Water"
    },
    "hasSolute": {
      "@type": "PotassiumHydroxide",
      "molecularFormula": "KOH",
      "hasProperty": [
        {
          "@type": "AmountConcentration",
          "hasNumericalPart": {
            "@type": "RealData",
            "hasNumericalValue": 1.0
          },
          "hasMeasurementUnit": "emmo:MolePerLitre"
        }
      ]
    }
  }
}