Reacting Surface Model Reference

Table 1. Reacting Surface Model Reference
Theory	See Electrochemical Surface Reactions (Heterogeneous).
Example Node Path	Continua > Physics 1 > Models > Electrochemical Reactions > Surface Mechanism Manager > SurfaceMechanism > Reacting Surface
Requires	Material: one of Multi-Component Gas, Multi-Component Liquid, Multiphase, Gas, or Liquid. Flow: any Viscous Regime: Turbulent Turbulence: Reynolds-Averaged Navier-Stokes Reynolds-Averaged Turbulence: K-Epsilon Turbulence
Activates	Properties	Expert Options. See Reacting Surface Model Properties.
	Model Controls (child nodes)	Reactions, Reaction [n], Reactants / Products, Properties, Phase Interaction Area Exponents, Solid Mixture

Reacting Surface Model Properties

Expert Options: When activated, provides the Reacting Surface > Phase Interaction Area Exponents node.

Reactions

Right-Click Actions

New Reaction: Creates a Reaction [n] sub-node.; See Reaction [n] Reference.
Import Reactions: Displays the Select file and material database dialog. The dialog allows you to select a file that contains the electrochemical reaction mechanism, and specify the Material Database that the reaction components are added to.

Phase Interaction Area Exponents

The Phase Interaction Area Exponents node only appears when the Surface Mechanism Manager > [Electrochemical Mechanism] > Models > Reacting Surface property, Expert Options, is activated. The specification of phase interaction area exponents allows you to modulate the electrochemical reaction rates (including sorption rates) depending on the volume fraction of the involved reactants.

The phase interaction area exponents are used to compute a clogging factor that modifies the boundary species electrochemical reaction flux as given by Eqn. (4120).

Reacting Surface > Phase Interaction Area Exponent > Exponents [n]

Phases: (Read only). The phases of materials that are participating in electrochemical reaction for the selected exponent.
Reactions: (Read only). Specifies the reaction for the selected exponent.
Phase exponent: Sets value of exponents for the phases used in reactions. See Eqn. (4120). The phase interaction exponents for solid phases are zero which means that solid volume fraction changes do not affect reaction rates. The structure of the solid phase can be incorporated into the simulation by the use of the phase interaction areas, see Interaction Area Density Model Reference.

Solid Mixture

The Solid Mixture node only appears when the Electrochemical Species model is used.

Right-Click Actions

Dependencies: See Object Dependencies.

Solid Mixture > Solid Species

Right-Click Actions

Select Mixture Components: Opens the Select Mixture Components dialog, which allows you to select components that are available in the material database. The chosen components are then available to select as reactants or products for electrochemical reactions. See Material Databases.
Reorder Mixture Components: Materials appear under the Solid Species node (or Bulk Species node) in the order that you select them in the material database. This option opens a dialog which allows you to drag-and-drop materials to rearrange the order in which the materials 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 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 solid species (or bulk species) mixture components that are specified.

Solid Mixture > Solid Species > [Solid Species Component]

Database Material

Read only. Describes the material that is chosen for this solid species from the materials database, and Id which displays a unique ID number for that electrochemical surface mechanism.

Right-Click Actions

Replace With: Allows you to select a different electrochemical species from the material database using the Replace Mixture Component dialog.

Solid Mixture > Solid Species > [Solid Species Component] > Material Properties

Elemental Composition

Method	Corresponding Nodes
Elemental Composition Method	Elemental Composition Method Provides the Atoms sub-node which displays the Molecular Weight of the atoms within the [Solid Species Component]. You can right-click the the Atoms node and select New Atom. Opens the Add atom to elemental composition dialog in which you can select a type of atom and the quantity of that type of atom that is in the [Solid Species Component]. An [Atom] sub-node is created for each type of atom that is selected. The[Atom] node allows you to specify a Value for the number of that type of atom in the formula of the [Solid Species Component].

Method

Corresponding Nodes

Elemental Composition Method

Elemental Composition Method: Provides the Atoms sub-node which displays the Molecular Weight of the atoms within the [Solid Species Component].; You can right-click the the Atoms node and select New Atom. Opens the Add atom to elemental composition dialog in which you can select a type of atom and the quantity of that type of atom that is in the [Solid Species Component]. An [Atom] sub-node is created for each type of atom that is selected. The[Atom] node allows you to specify a Value for the number of that type of atom in the formula of the [Solid Species Component].

Bulk Solid Mixture

The Bulk Solid Mixture node only appears when the Charged Species Effects model is used.

Right-Click Actions

Dependencies: See Object Dependencies.

Bulk Solid Mixture > Bulk Species: Right-click actions are the same as for the Solid Mixture > Solid Species node.; Use this node to select the solid bulk species reactants from the other side of the boundary.; See Solid Mixture > Solid Species.
Bulk Solid Mixture > Bulk Species > e-: Represents an electron which cannot be renamed or edited.