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Table 3 Reaction network, Reaction thermodynamics, and kinetics for mineral–water interactions

From: How long do natural waters “remember” release incidents of Marcellus Shale waters: a first order approximation using reactive transport modeling

No. Minerals Reactions log Keq [65] logk [(mol/m2)/s] [69] SSAa
  Kinetic reactions
1 Quartz SiO2(s) SiO2(aq) −4.00 −13.41 0.017 [54]
2 K-Feldspar KAlSi3O8 + 4H+ Al3+ + K+ + 2H2O + 3SiO2(aq) −0.27 −12.41 0.098 [55]
3 Clinochlore-14A \( {\text{Mg}}_{5} {\text{Al}}_{2} {\text{Si}}_{3} {\text{O}}_{10} \left( {\text{OH}} \right)_{8} + 8{\text{H}}^{ + } \Leftrightarrow 5{\text{Mg}}^{2 + } + 2{\text{Al}}\left( {\text{OH}} \right)_{4}^{ - } + 3{\text{SiO}}_{2} \left( {\text{aq}} \right) + 4{\text{H}}_{2} {\text{O}} \) 67.24 −12.52 1.10 [56]
4 Daphnite-14A \( {\text{Fe}}_{5} {\text{Al}}_{2} {\text{Si}}_{3} {\text{O}}_{10} \left( {\text{OH}} \right)_{8} + 8{\text{H}}^{ + } \Leftrightarrow 5{\text{Fe}}^{2 + } + 2{\text{Al}}\left( {\text{OH}} \right)_{4}^{ - } + 3{\text{SiO}}_{2} \left( {\text{aq}} \right) + 4{\text{H}}_{2} {\text{O}} \) 52.28 −12.52 1.10 [56]
5 Muscovite KAl2(Si3Al)O10(OH)2 + 10H+ K+ + 3Al3+ + 3SiO2(aq) + 6H2O 13.58 −13.55 14.28 [57]
6 Kaolinite Al2Si2O5(OH)4 + 6H+ 2Al3+ + 5H2O + 2SiO2 6.81 −13.18 14.70 [58]
7 Illite K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 + 8H+ 0.25 Mg2++0.6K++2.30Al3+ + 3.50SiO2(aq) + 5H2O 9.02 −11.60 65.00 [57]
8 Sericite KAl2(Si3Al)O10(OH)2 + 10H+ K+ + 3Al3+ + 3SiO2(aq) + 6H2O 13.58 −13.55 57.00 [59]
9 Dolomite \( {\text{CaMg}}\left( {{\text{CO}}_{3} } \right)_{2} \left( {\text{s}} \right) \Leftrightarrow {\text{Ca}}^{2 + } + {\text{Mg}}^{2 + } + 2{\text{CO}}_{3}^{2 - } \) −16.70 −7.53 0.25 [60]
10 Calcite \( {\text{CaCO}}_{3} \left( {\text{s}} \right) \Leftrightarrow {\text{Ca}}^{2 + } + {\text{CO}}_{3}^{2 - } \) −8.48 −5.81 0.48 [61]
11 Gypsum \( {\text{CaSO}}_{ 4} \left( {\text{s}} \right) \Leftrightarrow {\text{Ca}}^{ 2+ } + {\text{SO}}_{4}^{{2{ - }}} + 2 {\text{H}}_{ 2} {\text{O}} \) −4.48 −2.79 7.00 [62]
12 Celestite \( {\text{SrSO}}_{ 4} \left( {\text{s}} \right) \Leftrightarrow {\text{Sr}}^{ 2+ } + {\text{SO}}_{4}^{2 - } \) −5.68 1.22 [63]
13 Barite \( {\text{BaSO}}_{ 4} \left( {\text{s}} \right) \Leftrightarrow {\text{Ba}}^{ 2+ } + {\text{SO}}_{4}^{2 - } \) −9.97 −7.90 1.47 [61]
14 Gibbsite Al(OH)3(s) + 3H+ Al3+ + 3H2O 8.11 −11.50 6.50 [64]
No. Ion exchange Cation exchange capacity (CEC) [66] logK [67, 68]   
(Vanselow) S aquifer SG aquifers
1 NaX Na+ + X 5.0 × 10−5 eq/g 3.0 × 10−5 eq/g 0.00   
2 KX K+ + X   −0.69   
3 CaX 2 Ca2+ + 2X   −0.39   
4 MgX 2 Mg2+ + 2X   −0.30   
5 BaX 2 Ba2+ + 2X   −0.45   
6 SrX 2 Sr2+ + 2X   −0.45   
  1. aSSA values are from the laboratory studies in the literature which are generally observed to be faster than those from the fields [55, 70]