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Lumped Rate Model Without Pores¶
Group /input/model/unit_XXX - UNIT_TYPE = LUMPED_RATE_MODEL_WITHOUT_PORES¶
For information on model equations, refer to Lumped rate model without pores (LRM).
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
NBOUND
Number of bound states for each component
Type: int
Range: \(\geq 0\)
Length: \(\texttt{NCOMP}\)
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:
Component-independent, section-independent; length of \(\texttt{COL_DISPERSION}\) is \(1\)
Component-dependent, section-independent; length of \(\texttt{COL_DISPERSION}\) is \(\texttt{NCOMP}\)
Component-independent, section-dependent; length of \(\texttt{COL_DISPERSION}\) is \(\texttt{NSEC}\)
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
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
For further discretization parameters, see also Flux reconstruction methods, and Nonlinear solver for consistent initialization.