.. _cstr_config: 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:** :math:`\texttt{CSTR}` **Length:** 1 ================ ================================ ============= ``NCOMP`` Number of chemical components in the chromatographic medium ============= ========================= ============= **Type:** int **Range:** :math:`\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:** :math:`\geq 0` **Length:** :math:`\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:** :math:`\{0, 1\}` **Length:** 1 ============= =========================== ============= ``ADSORPTION_MODEL`` Specifies the type of binding model of each particle type ================ ========================================== ===================================== **Type:** string **Range:** See Section :ref:`FFAdsorption` **Length:** :math:`\texttt{NPARTYPE}` ================ ========================================== ===================================== ``REACTION_MODEL_BULK`` Specifies the type of reaction model of the bulk volume. The model is configured in the subgroup :math:`\texttt{reaction_bulk}`. ================ ======================================== ============= **Type:** string **Range:** See Section :ref:`FFReaction` **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 :math:`\texttt{reaction_particle}`, or :math:`\texttt{reaction_particle_XXX}` in case of disabled multiplexing. ================ ======================================== ========================================= **Type:** string **Range:** See Section :ref:`FFReaction` **Length:** :math:`1 / \texttt{NPARTYPE}` ================ ======================================== ========================================= ``REACTION_MODEL_PARTICLES_MULTIPLEX`` Multiplexing mode of :math:`\texttt{REACTION_MODEL_PARTICLES}`. If set to 0, each particle type has a different reaction model and the length of :math:`\texttt{REACTION_MODEL_PARTICLES}` is :math:`\texttt{NPARTYPE}`. If set to 1, all particle types share the same reaction model and the length of :math:`\texttt{REACTION_MODEL_PARTICLES}` is 1. This field is optional and inferred from the length of :math:`\texttt{REACTION_MODEL_PARTICLES}` if left out. ============= =========================== ============= **Type:** int **Range:** :math:`\{0, 1\}` **Length:** 1 ============= =========================== ============= ``INIT_C`` Initial concentrations for each component in the mobile phase **Unit:** :math:`\mathrm{mol}\,\mathrm{m}_{\mathrm{IV}}^{-3}` ================ ========================= ================================== **Type:** double **Range:** :math:`\geq 0` **Length:** :math:`\texttt{NCOMP}` ================ ========================= ================================== ``INIT_VOLUME`` Initial tank volume **Unit:** :math:`\mathrm{m}^{3}` ================ ========================= ============= **Type:** double **Range:** :math:`\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:** :math:`\mathrm{mol}\,\mathrm{m}_{\mathrm{SP}}^{-3}` ================ ========================= ======================================= **Type:** double **Range:** :math:`\geq 0` **Length:** :math:`\texttt{NTOTALBND}` ================ ========================= ======================================= ``INIT_STATE`` Full state vector for initialization (optional, :math:`\texttt{INIT_C}`, :math:`\texttt{INIT_Q}`, and :math:`\texttt{INIT_VOLUME}` will be ignored; if length is :math:`2\texttt{NDOF}`, then the second half is used for time derivatives) **Unit:** :math:`various` ================ ============================= ==================================================== **Type:** double **Range:** :math:`\mathbb{R}` **Length:** :math:`\texttt{NDOF} / 2\texttt{NDOF}` ================ ============================= ==================================================== ``POROSITY`` Porosity :math:`\varepsilon` (defaults to 1) ================ ======================== ============= **Type:** double **Range:** :math:`(0,1]` **Length:** 1 ================ ======================== ============= ``FLOWRATE_FILTER`` Flow rate of pure liquid without components (optional, defaults to :math:`\mathrm{m}^{3}\,\mathrm{s}^{-1}`) **Unit:** :math:`\mathrm{m}^{3}\,\mathrm{s}^{-1}` ================ ========================= ====================================== **Type:** double **Range:** :math:`\geq 0` **Length:** :math:`1 / \texttt{NSEC}` ================ ========================= ====================================== ``PAR_TYPE_VOLFRAC`` Volume fractions of the particle types, have to sum to 1 ================ ======================== ===================================== **Type:** double **Range:** :math:`[0,1]` **Length:** :math:`\texttt{NPARTYPE}` ================ ======================== =====================================