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Simplified Multi-State Steric Mass Action¶
Group /input/model/unit_XXX/adsorption – ADSORPTION_MODEL = SIMPLIFIED_MULTISTATE_STERIC_MASS_ACTION
For information on model equations, refer to Simplified Multi-State Steric Mass Action.
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 |
SMSSMA_LAMBDA
Stationary phase capacity (monovalent salt counterions); The total number of binding sites available on the resin surface
Unit: \(mol~m_{SP}^{-3}\)
Type: double |
Range: \(\ge 0\) |
Length: 1 |
SMSSMA_KA
Adsorption rate constants of the components to the different bound states in component-major ordering
Unit: \(m_{MP}^{3}~m_{SP}^{-3}~s^{-1}\)
Type: double |
Range: \(\ge 0\) |
Length: NTOTALBND |
SMSSMA_KD
Desorption rate constants of the components to the different bound states in component-major ordering
Unit: \(s^{-1}\)
Type: double |
Range: \(\ge 0\) |
Length: NTOTALBND |
SMSSMA_NU_MIN
Characteristic charges of the components in the first (weakest) bound state
Unit: \(s^{-1}\)
Type: double |
Range: \(\ge 0\) |
Length: NCOMP |
SMSSMA_NU_MAX
Characteristic charges of the components in the last (strongest) bound state
Type: double |
Range: \(\ge 0\) |
Length: NCOMP |
SMSSMA_NU_QUAD
Quadratic modifiers of the characteristic charges of the different components depending on the index of the bound state
Type: double |
Range: \(\mathbb{R}\) |
Length: NCOMP |
SMSSMA_SIGMA_MIN
Steric factors of the components in the first (weakest) bound state
Type: double |
Range: \(\ge 0\) |
Length: NCOMP |
SMSSMA_SIGMA_MAX
Steric factors of the components in the last (strongest) bound state
Type: double |
Range: \(\ge 0\) |
Length: NCOMP |
SMSSMA_SIGMA_QUAD
Quadratic modifiers of steric factors of the different components depending on the index of the bound state
Type: double |
Range: \(\mathbb{R}\) |
Length: NCOMP |
SMSSMA_KWS
Exchange rates from a weakly bound state to the next stronger bound state
Unit: \(s^{-1}\)
Type: double |
Range: \(\ge 0\) |
Length: NCOMP |
SMSSMA_KWS_LIN
Linear exchange rate coefficients from a weakly bound state to the next stronger bound state
Unit: \(s^{-1}\)
Type: double |
Range: \(\mathbb{R}\) |
Length: NCOMP |
SMSSMA_KWS_QUAD
Quadratic exchange rate coefficients from a weakly bound state to the next stronger bound state
Unit: \(s^{-1}\)
Type: double |
Range: \(\mathbb{R}\) |
Length: NCOMP |
SMSSMA_KSW
Exchange rates from a strongly bound state to the next weaker bound state
Unit: \(s^{-1}\)
Type: double |
Range: \(\ge 0\) |
Length: NCOMP |
SMSSMA_KSW_LIN
Linear exchange rate coefficients from a strongly bound state to the next weaker bound state
Unit: \(s^{-1}\)
Type: double |
Range: \(\mathbb{R}\) |
Length: NCOMP |
SMSSMA_KSW_QUAD
Quadratic exchange rate coefficients from a strongly bound state to the next weaker bound state
Unit: \(s^{-1}\)
Type: double |
Range: \(\mathbb{R}\) |
Length: NCOMP |
SMSSMA_REFC0
Reference liquid phase concentration (optional, defaults to \(1.0\))
Unit: \(mol~m_{MP}^{-3}\)
Type: double |
Range: \(\gt 0\) |
Length: 1 |
SMSSMA_REFQ
Reference solid phase concentration (optional, defaults to \(1.0\))
Unit: \(mol~m_{SP}^{-3}\)
Type: double |
Range: \(\gt 0\) |
Length: 1 |