ronald-jaepel
commented
1 month ago For reference, here's the current state of the documentation:
$$$ \begin{aligned} \frac{\mathrm{d} qi}{\mathrm{d} t} = k{a,i} \left( \frac{c{p,i}}{ c{\text{ref}} }\right)^{ni} q{\text{max},i} \left( 1 - \sum{j=0}^{N{\text{comp}} - 1} \frac{qj}{q{\text{max},j}} \right) - k_{d,i} \left( \frac{qi}{q{\text{ref}}} \right) && i = 0, \dots, N_{\text{comp}} - 1. \end{aligned} $$$
Multi Component Sips
**Group /input/model/unit_XXX/adsorption – ADSORPTION_MODEL = MULTI_COMPONENT_SIPS**
``IS_KINETIC``
Selects kinetic or quasi-stationary adsorption mode: 1 = kinetic, 0 =
quasi-stationary. If a single value is given, the mode is set for all
bound states. Otherwise, the adsorption mode is set for each bound
state separately.
=================== ========================= =========================================
**Type:** int **Range:** {0,1} **Length:** 1/NTOTALBND
=================== ========================= =========================================
``SIPS_KA``
Adsorption rate constants
**Unit:** :math:`s^{-1}`
=================== ========================= =========================================
**Type:** double **Range:** :math:`\ge 0` **Length:** NCOMP
=================== ========================= =========================================
``SIPS_KD``
Desorption rate constants
**Unit:** :math:`mol~m_{SP}^{-3}~s^{-1}`
=================== ========================= ==================================
**Type:** double **Range:** :math:`\ge 0` **Length:** NCOMP
=================== ========================= ==================================
``SIPS_QMAX``
Maximum adsorption capacities
**Unit:** :math:`mol~m_{SP}^{-3}`
=================== ========================= ==================================
**Type:** double **Range:** :math:`\gt 0` **Length:** NCOMP
=================== ========================= ==================================
``SIPS_EXP``
Freundlich-type exponent
=================== ========================= ==================================
**Type:** double **Range:** :math:`\gt 0` **Length:** NCOMP
=================== ========================= ==================================
``SIPS_REFC0``
Reference liquid phase concentration (optional, defaults to
:math:`1.0`)
**Unit:** :math:`mol~m_{MP}^{-3}`
=================== ========================= =========================================
**Type:** double **Range:** :math:`\gt 0` **Length:** 1
=================== ========================= =========================================
``SIPS_REFQ``
Reference solid phase concentration (optional, defaults to
:math:`1.0`)
**Unit:** :math:`mol~m_{SP}^{-3}`
=================== ========================= =========================================
**Type:** double **Range:** :math:`\gt 0` **Length:** 1
=================== ========================= =========================================
``SIPS_LINEAR_THRESHOLD``
Threshold for linearization. Originally, the liquid phase concentration
enters the adsorption rate via a power term. Below this threshold, a
quadratic approximation is used instead. This ensures numerical stability.
**Unit:** :math:`mol~m_{MP}^{-3}`
=================== ========================= =========================================
**Type:** double **Range:** :math:`\gt 0` **Length:** 1
=================== ========================= =========================================
This PR continues work by @sleweke to add the multicomponent Sips isotherm to CADET-Core.
I've rebased the branch onto master and added two minor changes to documentation and tests.
Status and ToDos:
Currently, the tests fail if any cp == 0.