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HIC Water on Hydrophobic Surfaces

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

For information on model equations, refer to HIC Water on Hydrophobic Surfaces.

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

HICWHS_KA

Adsorption rate constant

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

Type: double

Range: \(\ge 0\)

Length: NCOMP

HICWHS_KD

Desorption rate constant

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

Type: double

Range: \(\ge 0\)

Length: NCOMP

HICWHS_NU

Number of ligands per ligand-protein interaction

Unit: [-]

Type: double

Range: \(\ge 0\)

Length: NCOMP

HICWHS_QMAX

Maximum binding capacity

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

Type: double

Range: \(\ge 0\)

Length: NCOMP

HICWHS_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

HICWHS_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