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Table 3 Reaction stoichiometries and stability constants used in DLM calculations for kaolinite.

From: Surface complexation modeling of Cu(II) adsorption on mixtures of hydrous ferric oxide and kaolinite

Reaction

Log Stability Constant

V(Y) (Vmin(Y), Vmax(Y))

>KaoliniteOH + H+(aq) = >KaoliniteOH2+

2.1[38]

 

>KaoliniteOH = >KaoliniteO- + H+(aq)

-8.1[38]

 

Monodentate variable charge site:

 

23.3

>KaoliniteOH + Cu+2(aq) = >KaoliniteOCu+ + H+(aq)

-1.7 (this study)

(20.2, 27.1)

Bidentate variable charge site:

 

28.5

2 > KaoliniteOH + Cu+2(aq) = >KaoliniteO2Cu + 2H+(aq)

-4.6 (this study)

(24.8, 33.2)

Monodentate variable charge + ion exchange site (all log K's fit in this study):

  

>KaoliniteOH + Cu+2(aq) = >KaoliniteOCu+ + H+(aq)

-1.9 (this study)

 

X(Na) + H+(aq) = X(H) + Na+(aq)

4.1 (this study)

44.9

2X(Na) + Cu+2(aq) = X2(Cu) + 2Na+(aq)

0.72 (this study)

(38.9, 52.2)

Monodentate variable charge + ion exchange site model (fixed Na-H exchange stability constant):

  

>KaoliniteOH + Cu+2(aq) = >KaoliniteOCu+ + H+(aq)

-2.3 (this study)

 

X(Na) + H+(aq) = X(H) + Na+(aq)

4.3 (this study)

108

2X(Na) + Cu+2(aq) = X2(Cu) + 2Na+(aq)

2.5[7]

(93.6, 126)

Bidentate variable charge + ion exchange site model (fixed Na-H exchange stability constant):

-5.3 (this study)

 

2>KaoliniteOH + Cu+2(aq) = >KaoliniteO2Cu + 2H+(aq)

4.6 (this study)

62.6

X(Na) + H+(aq) = X(H) + Na+(aq)

2.5[7]

(54.4, 72.9)

2X(Na) + Cu+2(aq) = X2(Cu) + 2Na+(aq)

  

Monodentate variable charge + ion exchange site model, no Cu sorption on ion exchange site (fixed Na-H exchange stability constant):

-1.8 (this study)

2.5[7]

190

(165, 221)

>KaoliniteOH + Cu+2(aq) = >KaoliniteOCu+ + H+(aq)

  

X(Na) + H+(aq) = X(H) + Na+(aq)

  

Bidentate variable charge + ion exchange site model, no Cu sorption on ion exchange site (fixed Na-H exchange stability constant):

-4.6 (this study)

2.5[7]

33.8

(29.4, 39.3)

2 > KaoliniteOH + Cu+2(aq) = >KaoliniteO2Cu + 2H+(aq)

  

X(Na) + H+(aq) = X(H) + Na+(aq)

  
  1. The same protonation/deprotonation constants for the variable charge site is used in all models. Average goodness-of-fit parameters (V(Y)) and 95% confidence intervals of V(Y) are for the fit of each model to all of the Cu on kaolinite adsorption edge data (np = 360).