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Continuous stirred tank reactor model

Group /input/model/unit_XXX - UNIT_TYPE = CSTR

UNIT_TYPE

Specifies the type of unit operation model

Type: string

Range: \(\texttt{CSTR}\)

Length: 1

NCOMP

Number of chemical components in the chromatographic medium

Type: int

Range: \(\geq 1\)

Length: 1

NBOUND

Number of bound states for each component in each particle type in type-major ordering (optional, defaults to all 0)

Type: int

Range: \(\geq 0\)

Length: \(\texttt{NPARTYPE} \cdot \texttt{NCOMP}\)

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

ADSORPTION_MODEL

Specifies the type of binding model of each particle type

Type: string

Range: See Section Binding models

Length: \(\texttt{NPARTYPE}\)

REACTION_MODEL_BULK

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

Type: string

Range: See Section Reaction models

Length: 1

REACTION_MODEL_PARTICLES

Specifies the type of reaction model of each particle type (or of all particle types if length is 1). The model is configured in the subgroup \(\texttt{reaction_particle}\), or \(\texttt{reaction_particle_XXX}\) in case of disabled multiplexing.

Type: string

Range: See Section Reaction models

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

REACTION_MODEL_PARTICLES_MULTIPLEX

Multiplexing mode of \(\texttt{REACTION_MODEL_PARTICLES}\). If set to 0, each particle type has a different reaction model and the length of \(\texttt{REACTION_MODEL_PARTICLES}\) is \(\texttt{NPARTYPE}\). If set to 1, all particle types share the same reaction model and the length of \(\texttt{REACTION_MODEL_PARTICLES}\) is 1. This field is optional and inferred from the length of \(\texttt{REACTION_MODEL_PARTICLES}\) if left out.

Type: int

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

Length: 1

INIT_C

Initial concentrations for each component in the mobile phase

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

Type: double

Range: \(\geq 0\)

Length: \(\texttt{NCOMP}\)

INIT_VOLUME

Initial tank volume

Unit: \(\mathrm{m}^{3}\)

Type: double

Range: \(\geq 0\)

Length: 1

INIT_Q

Initial concentrations for each bound state of each component in the bead solid phase of each particle type in type-component-major ordering. This field is optional and defaults to all 0.

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

Type: double

Range: \(\geq 0\)

Length: \(\texttt{NTOTALBND}\)

INIT_STATE

Full state vector for initialization (optional, \(\texttt{INIT_C}\), \(\texttt{INIT_Q}\), and \(\texttt{INIT_VOLUME}\) 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: \(\texttt{NDOF} / 2\texttt{NDOF}\)

POROSITY

Porosity \(\varepsilon\) (defaults to 1)

Type: double

Range: \((0,1]\)

Length: 1

FLOWRATE_FILTER

Flow rate of pure liquid without components (optional, defaults to \(\mathrm{m}^{3}\,\mathrm{s}^{-1}\))

Unit: \(\mathrm{m}^{3}\,\mathrm{s}^{-1}\)

Type: double

Range: \(\geq 0\)

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

PAR_TYPE_VOLFRAC

Volume fractions of the particle types, have to sum to 1

Type: double

Range: \([0,1]\)

Length: \(\texttt{NPARTYPE}\)