solid_bound

Module: multiphasic

Category: globaldata

Type string: "solid_bound"

Parameters

Name	Description	Default	Units
density	density	1	[M/L^3]
molar_mass	molar_mass	1	[M/n]
charge_number	charge_number	0	[]

Description

In multiphasic analyses with chemical reactions involving solid-bound molecules, a unique identifier must be associated with each such molecule in order to enforce consistent properties across the entire model. This unique identification is achieved by listing each solid-bound species that appears in the entire finite element model and associating it with a unique id, name, charge number, molar mass and density:

<Globals>
  <SolidBoundMolecules>
    <solid_bound id="1" name="CS">
      <charge_number>-2</charge_number>
      <molar_mass>463.37</molar_mass>
      <density>1.5<density>
    </solid_bound >
  </SolidBoundMolecules >
</Globals>

The id number should be referenced in the sbm attribute of solid-bound molecules when included in the definition of a multiphasic material. The charge_number parameter is used in the calculation of the fixed charge density contributed by this solid-bound molecule to the overall solid matrix fixed-charge density. The density parameter is used in the calculation of the contribution of this molecule to the referential solid volume fraction. The density and molar_mass parameters are used in the calculation of the molar volume of this molecule in chemical reactions.