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Table 2 CD-MUSIC models for Eu(III)/Am(III) adsorption on aluminum (hydr)oxide minerals

From: Eu(III) and Am(III) adsorption on aluminum (hydr)oxide minerals: surface complexation modeling

Surface complexation reaction

ΔZ0

ΔZ1

ΔZ2

log K

Corundum

γ-Alumina

Gibbsite

\({\equiv AlOH}^{-0.5}+{H}^{+}\leftrightarrow { \equiv AlOH}_{2}^{+0.5}\)

1

0

0

9.6a

9.0b

9.87c

\({\equiv AlOH}^{-0.5}+{Na}^{+}\leftrightarrow {\equiv AlOH}^{-0.5}{Na}^{+}\)

–

–

–

− 0.8a

− 0.096b

0.7c

\({\equiv AlOH}^{-0.5}+{H}^{+}+ {Cl}^{-}\leftrightarrow { \equiv AlOH}_{2}^{+0.5}{Cl}^{-}\)

–

–

–

8.00a

8.82b

9.74c

\({\equiv AlOH}^{-0.5}+{H}^{+}+ {C{O}_{3}}^{-2}\leftrightarrow {\equiv AlOCOO}^{-1.5}+{H}_{2}O\)

− 1

0

0

− 0.3d

− 0.3d

− 0.3d

\({\equiv {Al}_{s}OH}^{-0.5}+{Eu}^{+3}+{H}_{2}O\leftrightarrow { \equiv {Al}_{s}OEuOH}^{+0.5}+2{H}^{+}\)

0.5

0.5

0

1.61 ± 0.12

0.89 ± 0.08

N/A

\({\equiv {Al}_{w}OH}^{-0.5}+{Eu}^{+3}+{H}_{2}O\leftrightarrow { \equiv {Al}_{w}OEuOH}^{+0.5}+2{H}^{+}\)

0.5

0.5

0

− 2.71 ± 0.09

− 4.63 ± 0.07

− 2.99 ± 0.24

RMSE

   

0.1766

0.1134

0.1982

R2

   

0.8235

0.9261

0.7914

Correlation coefficient

   

− 0.111

− 0.009

N/A

\({\equiv {Al}_{s}OH}^{-0.5}+{Am}^{+3}+{H}_{2}O\leftrightarrow { \equiv {Al}_{s}OAmOH}^{+0.5}+2{H}^{+}\)

0.5

0.5

0

3.45 ± 2.72

N/A

N/A

\({\equiv {Al}_{w}OH}^{-0.5}+{Am}^{+3}+{H}_{2}O\leftrightarrow { \equiv {Al}_{w}OAmOH}^{+0.5}+2{H}^{+}\)

0.5

0.5

0

− 1.47 ± 0.27

− 1.93 ± 0.08#

N/A

RMSE

   

0.1818

0.1001

N/A

R2

   

0.8129

0.9382

N/A

Correlation coefficient

   

− 0.044

N/A

N/A

  1. Optimized values of the fit parameters are provided in bold text
  2. #Only one site type was assumed for model optimization
  3. aJanot et al. [37]
  4. bMayordomo et al. [38]
  5. cWeerasooriya et al. [39]
  6. dWijnja and Schulthess [41]