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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_KINETICSelects 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_KAAdsorption rate constant
Unit: \(m_{MP}^{3}~m_{SP}^{-3}~s^{-1}\)
Type: double |
Range: \(\ge 0\) |
Length: NCOMP |
HICWHS_KDDesorption rate constant
Unit: \(s^{-1}\)
Type: double |
Range: \(\ge 0\) |
Length: NCOMP |
HICWHS_NUNumber of ligands per ligand-protein interaction
Unit: [-]
Type: double |
Range: \(\ge 0\) |
Length: NCOMP |
HICWHS_QMAXMaximum binding capacity
Unit: \(mol~m_{SP}^{-3}\)
Type: double |
Range: \(\ge 0\) |
Length: NCOMP |
HICWHS_BETA0Parameters 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_BETA1Parameters 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 |