RES³T - Rossendorf Expert System for Surface and Sorption Thermodynamics

Show Detailed Site Query Results


Binding Site Data:


Mineral: Ferrihydrite
Reference: TSPG13
SCM Type: CDM - (CD-)MUSIC   (C1: 1.15 F/m2,  C2: 0.9 F/m2)
Ionic Strength: 0.01 mol/L of NaNO3
Site Type: »Fe(s)-OH
PZC:
pK1: 8.1 pK1°I=0 (Conversion to I = 0): 8.06 pK12.31 nm−2 (normalized): 8.53
pK2: pK2°I=0 (Conversion to I = 0):  
Site Density in nm-2: 6.2500
Original Site Density: 6.25 sites / nm² surface
Solid/Liquid Ratio in g/L:
pH Range:
Temperature in K:
Method for Site Density: Geometrical Calculation
Method for Protolysis:Literature
Fit Method:FITEQL
Comment: The total density of the »FeOH and »Fe3O groups was set to 7.8 sites/nm2 using a molecular weight of ferrihydrite of 89 g/mol and a specific surface area of 650 m2/g [HV09]; triply coordinated »Fe3O groups accounted for 20% of the proton charging whereas singly coordinated »FeOH groups accounted for the remaining 80%; »Fe(s1)-OH is a very strong affinity site (0.1 % of the total number of sites); »Fe(s2)-OH (0.9 % of the total number of sites); »Fe(s)-OH (1 % of the total number of sites)
 
Mineral: Ferrihydrite
Reference: TSPG13
SCM Type: CDM - (CD-)MUSIC   (C1: 1.15 F/m2,  C2: 0.9 F/m2)
Ionic Strength: 0.01 mol/L of NaNO3
Site Type: »Fe(s2)-OH
PZC:
pK1: 8.1 pK1°I=0 (Conversion to I = 0): 8.06 pK12.31 nm−2 (normalized): 8.53
pK2: pK2°I=0 (Conversion to I = 0):  
Site Density in nm-2: 6.2500
Original Site Density: 6.25 sites / nm² surface
Solid/Liquid Ratio in g/L:
pH Range:
Temperature in K:
Method for Site Density: Geometrical Calculation
Method for Protolysis:Literature
Fit Method:FITEQL
Comment: The total density of the »FeOH and »Fe3O groups was set to 7.8 sites/nm2 using a molecular weight of ferrihydrite of 89 g/mol and a specific surface area of 650 m2/g [HV09]; triply coordinated »Fe3O groups accounted for 20% of the proton charging whereas singly coordinated »FeOH groups accounted for the remaining 80%; »Fe(s1)-OH is a very strong affinity site (0.1 % of the total number of sites); »Fe(s2)-OH (0.9 % of the total number of sites); »Fe(s)-OH (1 % of the total number of sites)
 
Mineral: Ferrihydrite
Reference: TSPG13
SCM Type: CDM - (CD-)MUSIC   (C1: 1.15 F/m2,  C2: 0.9 F/m2)
Ionic Strength: 0.01 mol/L of NaNO3
Site Type: »Fe(s1)-OH
PZC:
pK1: 8.1 pK1°I=0 (Conversion to I = 0): 8.06 pK12.31 nm−2 (normalized): 8.53
pK2: pK2°I=0 (Conversion to I = 0):  
Site Density in nm-2: 6.2500
Original Site Density: 6.25 sites / nm² surface
Solid/Liquid Ratio in g/L:
pH Range:
Temperature in K:
Method for Site Density: Geometrical Calculation
Method for Protolysis:Literature
Fit Method:FITEQL
Comment: The total density of the »FeOH and »Fe3O groups was set to 7.8 sites/nm2 using a molecular weight of ferrihydrite of 89 g/mol and a specific surface area of 650 m2/g [HV09]; triply coordinated »Fe3O groups accounted for 20% of the proton charging whereas singly coordinated »FeOH groups accounted for the remaining 80%; »Fe(s1)-OH is a very strong affinity site (0.1 % of the total number of sites); »Fe(s2)-OH (0.9 % of the total number of sites); »Fe(s)-OH (1 % of the total number of sites)
 
Mineral: Ferrihydrite
Reference: TSPG13
SCM Type: CDM - (CD-)MUSIC   (C1: 1.15 F/m2,  C2: 0.9 F/m2)
Ionic Strength: 0.01 mol/L of NaNO3
Site Type: »Fe-singly
PZC:
pK1: 8.1 pK1°I=0 (Conversion to I = 0): 8.06 pK12.31 nm−2 (normalized): 8.53
pK2: pK2°I=0 (Conversion to I = 0):  
Site Density in nm-2: 6.2500
Original Site Density: 6.25 sites / nm² surface
Solid/Liquid Ratio in g/L:
pH Range:
Temperature in K:
Method for Site Density: Geometrical Calculation
Method for Protolysis:Literature
Fit Method:FITEQL
Comment: The total density of the »FeOH and »Fe3O groups was set to 7.8 sites/nm2 using a molecular weight of ferrihydrite of 89 g/mol and a specific surface area of 650 m2/g [HV09]; triply coordinated »Fe3O groups accounted for 20% of the proton charging whereas singly coordinated »FeOH groups accounted for the remaining 80%; »Fe(s1)-OH is a very strong affinity site (0.1 % of the total number of sites); »Fe(s2)-OH (0.9 % of the total number of sites); »Fe(s)-OH (1 % of the total number of sites)
 
Mineral: Ferrihydrite
Reference: TSPG13
SCM Type: CDM - (CD-)MUSIC   (C1: 1.15 F/m2,  C2: 0.9 F/m2)
Ionic Strength: 0.01 mol/L of NaNO3
Site Type: »Fe(w)-OH
PZC:
pK1: 8.1 pK1°I=0 (Conversion to I = 0): 8.06 pK12.31 nm−2 (normalized): 8.53
pK2: pK2°I=0 (Conversion to I = 0):  
Site Density in nm-2: 6.2500
Original Site Density: 6.25 sites / nm² surface
Solid/Liquid Ratio in g/L:
pH Range:
Temperature in K:
Method for Site Density: Geometrical Calculation
Method for Protolysis:Literature
Fit Method:FITEQL
Comment: The total density of the »FeOH and »Fe3O groups was set to 7.8 sites/nm2 using a molecular weight of ferrihydrite of 89 g/mol and a specific surface area of 650 m2/g [HV09]; triply coordinated »Fe3O groups accounted for 20% of the proton charging whereas singly coordinated »FeOH groups accounted for the remaining 80%; »Fe(s1)-OH is a very strong affinity site (0.1 % of the total number of sites); »Fe(s2)-OH (0.9 % of the total number of sites); »Fe(s)-OH (1 % of the total number of sites)
 
5 data sets were retrieved