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. 2017 Jan 27;114(7):E1046–E1053. doi: 10.1073/pnas.1620427114

Table 1.

Synthesis conditions for the samples

Reagent, (i) [Ci]/M di z2 (z2) × (c) γ, Debye–Hückel Davies activity coefficient
Birnessite synthesis*
 H+; HCl 1.0 × e−2 0.9 1 0.01 0.717 1.421
 Cl; HCl 1.0 × e−2 0.3 1 0.01 0.470 1.421
 Na+; NaCl 3.015 0.4 1 3.015 0.536 1.421
 K+; KCl 3.015 0.3 1 3.015 0.470 1.421
 Cl; KCl 3.015 0.3 1 3.015 0.470 1.421
 Na+; NaMnO4 0.125 0.4 1 0.125 0.536 1.421
 K+; KMnO4 0.125 0.3 1 0.125 0.470 1.421
 MnO4 0.125 0.35 1 0.125 0.505 1.421
Cryptomelane synthesis
 H+; H2SO4 1.0 0.9 1 1 0.707 3.105
 HSO4; H2SO4 1.0 0.4 4 4 0.067 3.105
 K+; KCl 3.0 0.3 1 3 0.435 92.933
 Cl; KCl 3.0 0.3 1 3 0.435 3.105
 K+; KMnO4 0.125 0.3 1 0.13 0.435 3.105
 MnO4; KMnO4 0.125 0.35 1 0.13 0.475 3.105

Reagent parameters to calculate total ionic strength include: concentration [Ci] in mol/L of the reagent ions (i) with size parameter (di) and ionic charge (z). Debye–Hückel activity coefficient (γ) is computed from the Debye–Hückel equation, and the Davies activity coefficient is computed from Davies equation.

*

Final ionic strength: 1/2 Σz2c = 3.150.

Final ionic strength: 1/2 Σz2c = 5.625.