HIC Unified

Group /input/model/unit_XXX/adsorption – ADSORPTION_MODEL = HIC_UNIFIED

For information on model equations, refer to HIC Unified.

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
HICUNI_KA

Adsorption rate constant

Unit: \(m_{MP}^{3}~m_{SP}^{-3}~s^{-1}\)

Type: double

Range: \(\ge 0\)

Length: NCOMP
HICUNI_KA_LIN

Coefficient of linear dependence of adsorption rate constant on modifier component

Unit: \(\text{[Mod]}^{-1}\)

Type: double

Length: NCOMP
HICUNI_KD

Desorption rate constant

Unit: \(s^{-1}\)

Type: double

Range: \(\ge 0\)

Length: NCOMP
HICUNI_KS

Salt coefficient of adsorption; difference of water-protein and salt-protein interactions

Type: double

Length: NCOMP
HICUNI_KP

Protein coefficient of adsorption; difference of water-protein and protein-protein interactions

Unit: \(m_{MP}^{3} mol^{-1}\)

Type: double

Length: NCOMP
HICUNI_NU

Number of ligands per ligand-protein interaction

Unit: [-]

Type: double

Range: \(\ge 0\)

Length: NCOMP
HICUNI_NU_LIN

Coefficient of linear dependence of number of ligands per ligand-protein interaction on modifier component

Unit: \(\text{[Mod]}^{-1}\)

Type: double

Length: NCOMP
HICUNI_EPSILON

Empirical coefficient of interaction between bound molecules

Unit: \(m_{SP}^{3}~mol^{-1}\)

Type: double

Length: NCOMP
HICUNI_QMAX

Maximum binding capacity

Unit: \(mol~m_{SP}^{-3}\)

Type: double

Range: \(\ge 0\)

Length: NCOMP
HICUNI_BETA0

Parameters describing the number of highly ordered water molecules that stabilize the hydrophobic surfaces at infinitely diluted salt concentration

Unit: [-]

Type: double

Range: \(\ge 0\)

Length: 1
HICUNI_BETA1

Parameters describing the change in the number of highly ordered water molecules that stabilize the hydrophobic surfaces with respect to changes in the salt concentration

Unit: \(m_{MP}^{3}~mol^{-1}\)

Type: double

Range: \(\ge 0\)

Length: 1
HICUNI_REFC1

Reference for component 1 (optional, defaults to \(0.0\))

Unit: \(\text{[Mod]}\)

Type: double

Length: 1
HICUNI_RHO

Osmotic effect of \(c_0\) on the water activity, calculated as osmotic_coefficient * molar_weight_of_water * ion_number (optional, defaults to \(3.35 * 10^{-5}\))

Unit: \(m_{MP}^{3}~mol^{-1}\)

Type: double

Range: \(\gt 0\)

Length: 1