Solid properties

This property package provides the solid phase properties for the chemical looping combustion of an iron-based oxygen carrier. The components modeled are Fe2O3, Fe3O4, and Al2O3.

Flow basis: Mass

Units: SI units

State Variables:

The state block supports the following state variables:

  • Component mass flowrate in kg/s,

  • Particle porosity in (dimensionless),

  • Component mass fraction in (dimensionless),

  • Temperature in K

Lists:

  • Component list - [Fe2O3, Fe3O4, Al2O3]

  • Shomate parameter list - [1 to 8]

Parameters:

Parameter Name

Symbol

Description

Units

Reference

mw_comp

\(mw_{j}\)

Molecular weights of solid components indexed by component list

kg/mol

[1]

dens_mass_comp_skeletal

\(\rho_{skeletal,j}\)

Skeletal density of solid components indexed by component list

kg/m3

[1]

cp_param

\(CP_{j,i}\)

Heat capacity parameters indexed by component list and shomate list

J/ mol.K

[1]

enth_mol_form_comp

\(H_{form,j}\)

Component molar heats of formation indexed by component list

J/mol

[1]

particle_dia

\(d_{p}\)

Diameter of solid particles

m

[2]

velocity_mf

\(v_{mf}\)

Velocity at minimum fluidization

m/s

[2]

voidage_mf

\(\varepsilon_{mf}\)

Voidage at minimum fluidization

None

[2]

therm_cond_sol

\(k_{sol}\)

Thermal conductivity of solid particles

kJ/m.K.s

[2]

Variables:

Variable Name

Symbol

Description

Units

flow_mass

\(F_{mass}\)

Component mass flowrate

kg/s

particle_porosity

\(\phi\)

Porosity of oxygen carrier

None

mass_frac_comp

\(x_{j}\)

Component mass fractions indexed by component list

None

temperature

\(T\)

Temperature

K

dens_mass_skeletal

\(\rho_{skeletal}\)

Skeletal density of oxygen carrier

kg/m3

dens_mass_particle

\(\rho_{particle}\)

Particle density of oxygen carrier

kg/m3

cp_mol_comp

\(c_{p,mol,j}\)

Pure component solid heat capacities indexed by component list

J/mol.K

cp_mass

\(c_{p,mass}\)

Mixture heat capacity, mass-basis

J/kg.K

enth_mol_comp

\(H_{mol,j}\)

Pure component enthalpies indexed by component list

J/mol

enth_mass

\(H_{mass}\)

Mixture specific enthalpy

J/kg

Methods:

Sum of component fractions:

\[1 = \sum_j{x_{j}}\]

Skeletal density of oxygen carrier:

\[\rho_{skeletal} = \frac{1} {\sum_j{\frac{x_{j}}{\rho_{skeletal,j}}}}\]

Particle density of oxygen carrier:

\[\rho_{particle} = {\left(1 - \phi \right)} \rho_{skeletal}\]

Molar heat capacity of component, see reference [1]:

\[c_{p,mol,j} = CP_{j,1} + CP_{j,2}\bar{T} + CP_{j,3}\bar{T}^2 + CP_{j,4}\bar{T}^3 + \frac{CP_{j,5}}{\bar{T}^2}\]
\[\bar{T} = 10^{-3}T\]

Mass heat capacity of oxygen carrier:

\[c_{p,mass} = \sum_j{\frac{c_{p,mol,j}x_{j}}{mw_{j}}}\]

Molar enthalpy of component, see reference [1]:

\[H_{mol,j} = P_{j,1} + P_{j,2}\bar{T} + P_{j,3}\bar{T}^2 + P_{j,4}\bar{T}^3 + \frac{P_{j,5}}{\bar{T}^2}\]
\[\bar{T} = 10^{-3}T\]

Mass enthalpy of oxygen carrier:

\[H_{mass} = \sum_j{\frac{H_{mol,j}x_{j}}{mw_{j}}}\]

References:

  1. National Institute of Standards and Technology, NIST Chemistry WebBook, (n.d.). (accessed March 10, 2018).

  2. Stevens R., Newby R., Shah V., Kuehn N., Keairns D., Guidance for NETL’s oxycombustion R&D program: Chemical looping combustion reference plant designs and sensitivity studies, 2014.