/
heterogeneous_reaction_properties.rst
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/
heterogeneous_reaction_properties.rst
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Heterogeneous reaction properties
=================================
.. index::
pair: idaes.gas_solid_contactors.properties.methane_iron_OC_reduction.hetero_reactions;HeteroReactionParameterBlock
pair: idaes.gas_solid_contactors.properties.methane_iron_OC_reduction.hetero_reactions;HeteroReactionParameterData
pair: idaes.gas_solid_contactors.properties.methane_iron_OC_reduction.hetero_reactions;HeteroReactionStateBlock
pair: idaes.gas_solid_contactors.properties.methane_iron_OC_reduction.hetero_reactions;HeteroReactionStateBlockData
.. currentmodule:: idaes.gas_solid_contactors.properties.methane_iron_OC_reduction.hetero_reactions
Property package for the reaction of CH4 with an iron-based OC. More details of this reaction scheme can be found in reference [1].
The gas components modeled are CH4, CO2, H2O.
The solid components modeled are Fe2O3, Fe3O4, Al2O3.
Reaction scheme modeled is CH4 + 12Fe2O3 => 8Fe3O4 + CO2 + 2H2O
**Rate basis**: Molar
**Units**: SI units
**Lists**:
* Component list - [CH4, CO2, H2O, Fe2O3, Fe3O4, Al2O3]
* Reaction list - [R1]
**Parameters**:
.. csv-table::
:header: "Parameter Name", "Symbol", "Description", "Units", "Reference"
"``dh_rxn``", ":math:`H_{rxn}`", "Heat of reaction", "kJ/mol",
"``grain_radius``", ":math:`r_{g}`", "Representative particle grain radius within oxygen carrier particle", "m", "[1]"
"``dens_mol_sol``", ":math:`\rho_{sol,mol}`", "Molar density of oxygen carrier particle", "mol/m3", "[1]"
"``a_vol``", ":math:`a_{vol}`", "Available reaction volume per volume of oxygen carrier", "None", "[1]"
"``k0_rxn``", ":math:`k_{0}`", "Pre-exponential factor", ":math:`\frac{mol^{1-n_{i}} m^{3n_{i}-2}}{s}`", "[1]"
"``energy_activation``", ":math:`E_{A}`", "'Activation energy", "kJ/mol", "[1]"
"``rxn_order``", ":math:`n_{i}`", "Reaction order indexed by reaction list", "None", "[1]"
"``gas_const``", ":math:`R`", "Gas constant", "kJ/mol.K",
"``rate_reaction_stoichiometry``", ":math:`b_{i,j}`", "Reaction Stoichiometry indexed by reaction list and component list", "kJ/mol.K", "[1]"
"``mw_comp``", ":math:`mw_{j}`", "Molecular weights of components indexed by component list", "kg/mol", "[1]"
**Variables**:
.. csv-table::
:header: "Variable Name", "Symbol", "Description", "Units"
"``k_rxn``", ":math:`k`", "Rate constant", ":math:`\frac{mol^{1-n_{i}} m^{3n_{i}-2}}{s}`"
"``OC_conv``", ":math:`X`","Fraction of oxygen carrier converted", "None"
"``reaction_rate``", ":math:`rate_{rxn}`","Reaction rate", "mol_rxn/m3.s"
"``temperature``", ":math:`T`","Temperature", "K"
"``dens_mol_comp``", ":math:`C_{g,j}`", "Component molar concentration indexed by component list", "mol/m3"
"``mass_frac_comp``", ":math:`x_{j}`","Component mass fractions indexed by component list", "None"
"``particle_porosity``", ":math:`\phi`","Porosity of oxygen carrier", "None"
"``dens_mass_skeletal``", ":math:`\rho_{skeletal}`", "Skeletal density of oxygen carrier", "kg/m3"
**Methods**:
Rate constant:
.. math:: k = k_{0}exp{\left( \frac{-E}{R T} \right)}
Reaction rate:
.. math:: rate_{rxn} = x_{Fe2O3}{\left( 1 - \phi \right)}\rho_{skeletal} \frac{a_{vol}}{mw_{Fe2O3}} \frac{{3} {k} b_{i,Fe2O3} {C_{g, CH4}}^{n_{i}}}{\rho_{sol,mol} r_{g}} {\left(1 - X\right)}^{\frac{2}{3}}
**References**:
1. A. Abad, J. Adánez, F. García-Labiano, L.F. de Diego, P. Gayán, J. Celaya, Mapping of the range of operational conditions for Cu-, Fe-, and Ni-based oxygen carriers in chemical-looping combustion, Chem. Eng. Sci. 62 (2007) 533–549.