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Lumped Rate Model Without Pores

Group /input/model/unit_XXX - UNIT_TYPE = LUMPED_RATE_MODEL_WITHOUT_PORES

UNIT_TYPE

Specifies the type of unit operation model

Type: string

Range: \(\texttt{LUMPED_RATE_MODEL_WITHOUT_PORES}\)

Length: 1

NCOMP

Number of chemical components in the chromatographic medium

Type: int

Range: \(\geq 1\)

Length: 1

ADSORPTION_MODEL

Specifies the type of binding model

Type: string

Range: See Section Binding models

Length: 1

REACTION_MODEL

Specifies the type of reaction model of the combined bulk and particle volume. The model is configured in the subgroup \(\texttt{reaction}\).

Type: string

Range: See Section Reaction models

Length: 1

INIT_C

Initial concentrations for each component in the bulk mobile phase

Unit: \(\mathrm{mol}\,\mathrm{m}_{\mathrm{IV}}^{-3}\)

Type: double

Range: \(\geq 0\)

Length: \(\texttt{NCOMP}\)

INIT_Q

Initial concentrations for each bound state of each component in the bead solid phase in component-major ordering

Unit: \(\mathrm{mol}\,\mathrm{m}_{\mathrm{SP}}^{-3}\)

Type: double

Range: \(\geq 0\)

Length: \(\texttt{NTOTALBND}\)

INIT_STATE

Full state vector for initialization (optional, \(\texttt{INIT_C}\) and \(\texttt{INIT_Q}\) will be ignored; if length is \(2\texttt{NDOF}\), then the second half is used for time derivatives)

Unit: \(various\)

Type: double

Range: \(\mathbb{R}\)

Length: \(\texttt{NDOF} / 2\texttt{NDOF}\)

COL_DISPERSION

Axial dispersion coefficient

Unit: \(\mathrm{m}_{\mathrm{IV}}^{2}\,\mathrm{s}^{-1}\)

Type: double

Range: \(\geq 0\)

Length: see \(\texttt{COL_DISPERSION_MULTIPLEX}\)

COL_DISPERSION_MULTIPLEX

Multiplexing mode of \(\texttt{COL_DISPERSION}\). Determines whether \(\texttt{COL_DISPERSION}\) is treated as component- and/or section-independent. This field is optional. When left out, multiplexing behavior is inferred from the length of \(\texttt{COL_DISPERSION}\). Valid modes are:

  1. Component-independent, section-independent; length of \(\texttt{COL_DISPERSION}\) is \(1\)

  2. Component-dependent, section-independent; length of \(\texttt{COL_DISPERSION}\) is \(\texttt{NCOMP}\)

  3. Component-independent, section-dependent; length of \(\texttt{COL_DISPERSION}\) is \(\texttt{NSEC}\)

  4. Component-dependent, section-dependent; length of \(\texttt{COL_DISPERSION}\) is \(\texttt{NCOMP} \cdot \texttt{NSEC}\); ordering is section-major

Type: int

Range: \(\{0, \dots, 3 \}\)

Length: 1

COL_LENGTH

Column length

Unit: \(\mathrm{m}\)

Type: double

Range: \(> 0\)

Length: 1

TOTAL_POROSITY

Total porosity

Type: double

Range: \([0,1]\)

Length: 1

VELOCITY

Interstitial velocity of the mobile phase (optional if \(\texttt{CROSS_SECTION_AREA}\) is present, see Section Specification of flow rate / velocity and direction)

Unit: \(\mathrm{m}\,\mathrm{s}^{-1}\)

Type: double

Range: \(\mathbb{R}\)

Length: \(1 / \texttt{NSEC}\)

CROSS_SECTION_AREA

Cross section area of the column (optional if \(\texttt{VELOCITY}\) is present, see Section Specification of flow rate / velocity and direction)

Unit: \(\mathrm{m}^{2}\)

Type: double

Range: \(>0\)

Length: 1

Group /input/model/unit_XXX/discretization - UNIT_TYPE = LUMPED_RATE_MODEL_WITHOUT_PORES

NCOL

Number of axial column discretization cells

Type: int

Range: \(\geq 1\)

Length: 1

NBOUND

Number of bound states for each component

Type: int

Range: \(\geq 0\)

Length: \(\texttt{NCOMP}\)

USE_ANALYTIC_JACOBIAN

Determines whether analytically computed Jacobian matrix (faster) is used (value is 1) instead of Jacobians generated by algorithmic differentiation (slower, value is 0)

Type: int

Range: \(\{0, 1\}\)

Length: 1

RECONSTRUCTION

Type of reconstruction method for fluxes

Type: string

Range: \(\texttt{WENO}\)

Length: 1