Electrochemical Species Components Reference

Table 1. Electrochemical Species Components Reference
Example Node Path	Continua > Physics 1 > Models > Electrochemical Species > Electrochemical Species Components
Specific Right-Click Actions	See Electrochemical Species Components Right-Click Actions.
Activates	Model Controls (child nodes)	[Electrochemical Species]
	Materials	See: [Electrochemical Species] Materials and Methods

Electrochemical Species Components Right-Click Actions

Select Mixture Components: Opens the Select Mixture Components dialog, which allows you to select electrochemical species that are available in the material database. See Material Databases.
Reorder Mixture Components: Electrochemical species appear under the Electrochemical Species Components node in the order that you select them in the material database. This option opens a dialog which allows you to drag-and-drop electrochemical species to rearrange the order in which they appear in the simulation tree.
Import Species: Displays the Select file and material database dialog. The dialog allows you to select a file that contains the required electrochemical species, and specify the Material Database to which the species are added.
Export Mixture Components to a file: Allows you to export and save the electrochemical species components that are specified.

[Electrochemical Species] Properties

Database Material: Displays the read-only description of the material that is chosen for this electrochemical species from the materials database.
ID: Displays a read-only ID number which is unique to this electrochemical species in the surface reaction.
Minimum Allowable Concentration: Threshold value for the molar concentration, $c_{i}$ , of this species that is used when the molar concentration drops below it. This value overwrites lower values for molar concentration, such as those that are defined as boundary values or initial conditions. Useful to avoid the molar concentrations of electrochemical species reaching values that are close to zero.
Reference Concentration: Reference value $c_{i, r e f}$ that is used to determine the activity of an electrochemical species for electrochemical reactions. See, Butler-Volmer, Tafel, Tafel Slope (log 10), Nernst Equilibrium Potential, or Bulk Ion Chemical Reactions.

[Electrochemical Species] Right-Click Actions

Replace With: Opens the Replace Mixture Component dialog which allows you to select a different electrochemical species from the material database.

[Electrochemical Species] Material Properties and Methods

Charge Number

The charge number,

z_{i}

of the electrochemical species in Eqn. (4072).

Elemental Composition

The numbers and types of atoms which form the electrochemical species.

Method	Corresponding Method Node
Elemental Composition Method	The Elemental Composition Method > Atoms node allows you to specify more than one type of atom in an electrochemical species component. To add an atom, right-click the Atoms node and select New Atom. The Add atom to elemental composition dialog allows you to select the type and quantity of atoms in the [Electrochemical Species Component]. An [Atom] sub-node is created for each type of atom that is selected and the Molecular Weight property displays the combined atomic masses of the atoms within the electrochemical species component.

Method

Corresponding Method Node

Elemental Composition Method

The Elemental Composition Method > Atoms node allows you to specify more than one type of atom in an electrochemical species component. To add an atom, right-click the Atoms node and select New Atom. The Add atom to elemental composition dialog allows you to select the type and quantity of atoms in the [Electrochemical Species Component]. An [Atom] sub-node is created for each type of atom that is selected and the Molecular Weight property displays the combined atomic masses of the atoms within the electrochemical species component.

Mobility

Proportionality factor between the drift velocity that is induced on charged particles and the associated electric field.

Method	Corresponding Method Node
Nernst-Einstein: Simcenter STAR-CCM+ calculates the mobility of the charged particles differently depending on the dimensions that are used for mobility. See Using the Nernst-Einstein Method for Charged Species. Nernst-Einstein is only available to select when not set for Molecular Diffusivity.	Nernst-Einstein

Molecular Diffusivity

Proportionality factor between the diffusion velocity that is induced on electrochemical species and the associated molar concentration gradient.

Method	Corresponding Method Node
Nernst-Einstein: Simcenter STAR-CCM+ calculates the molecular diffusivity, $D_{i}$ , of the charged particles using Eqn. (4080). See Using the Nernst-Einstein Method for Charged Species. Nernst-Einstein is only available to select when not set for Mobility.	Nernst-Einstein