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formatted rate parameters for phreeqc_rates.dat
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David Parkhurst
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@ -2506,113 +2506,113 @@ RATE_PARAMETERS_PK
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# Acid Neutral Base
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# log K E n(H+) log K E log K E n(OH-)
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# ================================================================
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Quartz -30 0 0 -13.4 90.9 -30 0 0 # Table 4
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Quartz -30 0 0 -13.4 90.9 -30 0 0 # Table 4
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#
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SiO2(a) -30 0 0 -12.31 76 -30 0 0 # Table 6
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Cristobalite -30 0 0 -12.31 65 -30 0 0
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SiO2(a) -30 0 0 -12.31 76 -30 0 0 # Table 6
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Cristobalite -30 0 0 -12.31 65 -30 0 0
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#
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Albite -10.16 65 0.317 -12.56 65 -15.6 66.5 -0.471 # Table 1
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Oligoclase -9.67 65 0.457 -11.84 69.8 -30 0 0 # Table 13
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Andesine -8.88 53.5 0.541 -11.47 57.4 -30 0 0
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Labradorite -7.87 42.1 0.626 -10.91 45.2 -30 0 0
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Bytownite -5.85 29.3 1.018 -9.82 31.5 -30 0 0
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Anorthite -3.5 16.6 1.411 -9.12 17.8 -30 0 0
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Albite -10.16 65 0.317 -12.56 65 -15.6 66.5 -0.471 # Table 1
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Oligoclase -9.67 65 0.457 -11.84 69.8 -30 0 0 # Table 13
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Andesine -8.88 53.5 0.541 -11.47 57.4 -30 0 0
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Labradorite -7.87 42.1 0.626 -10.91 45.2 -30 0 0
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Bytownite -5.85 29.3 1.018 -9.82 31.5 -30 0 0
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Anorthite -3.5 16.6 1.411 -9.12 17.8 -30 0 0
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#
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K-feldspar -10.06 51.7 0.5 -12.41 38 -21.2 94.1 -0.823 # Table 15
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K-feldspar -10.06 51.7 0.5 -12.41 38 -21.2 94.1 -0.823 # Table 15
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#
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Nepheline -2.73 62.9 1.13 -8.56 65.4 -10.76 37.8 -0.2 # Table 18
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Leucite -6 132.2 0.7 -9.2 75.5 -10.66 56.6 -0.2
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Nepheline -2.73 62.9 1.13 -8.56 65.4 -10.76 37.8 -0.2 # Table 18
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Leucite -6 132.2 0.7 -9.2 75.5 -10.66 56.6 -0.2
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#
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Forsterite -6.85 67.2 0.47 -10.64 79 -30 0 0 # Table 23
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Fayalite -4.8 94.4 0 -12.8 94.4 -30 0 0
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Almandine -5.2 94.4 1 -10.7 103.8 -13.71 37.8 -0.35
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Grossular -5.1 85 1 -10.7 103.8 -30 0 0
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Andradite -5.2 94.4 1 -10.7 103.8 -30 0 0
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Kyanite -10.17 -53.9 1.268 -17.44 53.9 -30 0 0
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Staurolite -6.9 18.9 1 -12.2 56.6 -14.9 47.2 -0.3
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Epidote -10.6 71.1 0.338 -11.99 70.7 -17.33 79.1 -0.556
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Zoisite -7.5 66.1 0.5 -11.2 66.1 -30 0 0
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Forsterite -6.85 67.2 0.47 -10.64 79 -30 0 0 # Table 23
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Fayalite -4.8 94.4 0 -12.8 94.4 -30 0 0
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Almandine -5.2 94.4 1 -10.7 103.8 -13.71 37.8 -0.35
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Grossular -5.1 85 1 -10.7 103.8 -30 0 0
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Andradite -5.2 94.4 1 -10.7 103.8 -30 0 0
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Kyanite -10.17 -53.9 1.268 -17.44 53.9 -30 0 0
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Staurolite -6.9 18.9 1 -12.2 56.6 -14.9 47.2 -0.3
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Epidote -10.6 71.1 0.338 -11.99 70.7 -17.33 79.1 -0.556
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Zoisite -7.5 66.1 0.5 -11.2 66.1 -30 0 0
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#
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Cordierite -3.8 113.3 1 -11.2 28.3 -30 0 0 # Table 25
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Tourmaline -6.5 75.5 1 -11.2 85 -30 0 0
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Cordierite -3.8 113.3 1 -11.2 28.3 -30 0 0 # Table 25
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Tourmaline -6.5 75.5 1 -11.2 85 -30 0 0
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#
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augite -6.82 78 0.7 -11.97 78 -30 0 0 # Table 26
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bronzite -8.3 47.2 0.65 -11.7 66.1 -30 0 0
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diopside -6.36 96.1 0.71 -11.11 40.6 -30 0 0
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enstatite -9.02 80 0.6 -12.72 80 -30 0 0
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jadeite -6 132.2 0.7 -9.5 94.4 -30 0 0
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spodumene -4.6 94.4 0.7 -9.3 66.1 -30 0 0
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wollastonite -5.37 54.7 0.4 -8.88 54.7 -30 0 0
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augite -6.82 78 0.7 -11.97 78 -30 0 0 # Table 26
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bronzite -8.3 47.2 0.65 -11.7 66.1 -30 0 0
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diopside -6.36 96.1 0.71 -11.11 40.6 -30 0 0
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enstatite -9.02 80 0.6 -12.72 80 -30 0 0
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jadeite -6 132.2 0.7 -9.5 94.4 -30 0 0
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spodumene -4.6 94.4 0.7 -9.3 66.1 -30 0 0
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wollastonite -5.37 54.7 0.4 -8.88 54.7 -30 0 0
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#
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anthophyllite -11.94 51 0.44 -14.24 51 -30 0 0 # Table 27
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glaucophane -5.6 85 0.7 -10.1 94.4 -30 0 0
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hornblende -7 75.5 0.6 -10.3 94.4 -30 0 0
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riebeckite -7.7 56.6 0.7 -12.2 47.2 -30 0 0
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tremolite -8.4 18.9 0.7 -10.6 94.4 -30 0 0
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anthophyllite -11.94 51 0.44 -14.24 51 -30 0 0 # Table 27
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glaucophane -5.6 85 0.7 -10.1 94.4 -30 0 0
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hornblende -7 75.5 0.6 -10.3 94.4 -30 0 0
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riebeckite -7.7 56.6 0.7 -12.2 47.2 -30 0 0
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tremolite -8.4 18.9 0.7 -10.6 94.4 -30 0 0
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#
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biotite -9.84 22 0.525 -12.55 22 -30 0 0 # Table 28
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glauconite -4.8 85 0.7 -9.1 85 -30 0 0
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muscovite -11.85 22 0.37 -13.55 22 -14.55 22 -0.22
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muscovite -30 0 0 -13 22 -30 0 0
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paragonite -30 0 0 -13 22 -30 0 0
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phlogopite -30 0 0 -12.4 29 -30 0 0
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pyrophyllite -30 0 0 -12.4 29 -30 0 0
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biotite -9.84 22 0.525 -12.55 22 -30 0 0 # Table 28
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glauconite -4.8 85 0.7 -9.1 85 -30 0 0
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muscovite -11.85 22 0.37 -13.55 22 -14.55 22 -0.22
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muscovite -30 0 0 -13 22 -30 0 0
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paragonite -30 0 0 -13 22 -30 0 0
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phlogopite -30 0 0 -12.4 29 -30 0 0
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pyrophyllite -30 0 0 -12.4 29 -30 0 0
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#
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kaolinite -11.31 65.9 0.777 -13.18 22.2 -17.05 17.9 -0.472 # Table 29
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montmorillonite -12.71 48 0.22 -14.41 48 -14.41 48 -0.13 # Montmorillonite, K0.318(Si3.975Al0.025)(Al1.509Fe0.205Mg0.283)(OH)2.
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smectite -10.98 23.6 0.34 -12.78 35 -16.52 58.9 -0.4 # Smectite, K0.04Ca0.5(Al2.8Fe0.53Mg0.7)(Si7.65Al0.35)O20(OH)4.
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kaolinite -11.31 65.9 0.777 -13.18 22.2 -17.05 17.9 -0.472 # Table 29
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montmorillonite -12.71 48 0.22 -14.41 48 -14.41 48 -0.13 # Montmorillonite, K0.318(Si3.975Al0.025)(Al1.509Fe0.205Mg0.283)(OH)2.
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smectite -10.98 23.6 0.34 -12.78 35 -16.52 58.9 -0.4 # Smectite, K0.04Ca0.5(Al2.8Fe0.53Mg0.7)(Si7.65Al0.35)O20(OH)4.
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#
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lizardite -5.7 75.5 0.8 -12.4 56.6 -30 0 0 # Table 30
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chrysotile -30 0 0 -12 73.5 -13.58 73.5 -0.23
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chlorite(14A) -11.11 88 0.5 -12.52 88 -30 0 0
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talc -30 0 0 -12 42 -30 0 0
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prehnite -10.66 80.5 0.256 -13.16 93.4 -14.86 93.4 -0.2
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lizardite -5.7 75.5 0.8 -12.4 56.6 -30 0 0 # Table 30
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chrysotile -30 0 0 -12 73.5 -13.58 73.5 -0.23
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chlorite(14A) -11.11 88 0.5 -12.52 88 -30 0 0
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talc -30 0 0 -12 42 -30 0 0
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prehnite -10.66 80.5 0.256 -13.16 93.4 -14.86 93.4 -0.2
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#
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goethite -30 0 0 -7.94 86.5 -30 0 0 # Table 31
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hematite -9.39 66.2 1 -14.6 66.2 -30 0 0
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magnetite -8.59 18.6 0.279 -10.78 18.6 -30 0 0
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ilmenite -8.35 37.9 0.421 -11.16 37.9 -30 0 0
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uraninite -30 0 0 -7.98 32 -30 0 0
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goethite -30 0 0 -7.94 86.5 -30 0 0 # Table 31
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hematite -9.39 66.2 1 -14.6 66.2 -30 0 0
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magnetite -8.59 18.6 0.279 -10.78 18.6 -30 0 0
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ilmenite -8.35 37.9 0.421 -11.16 37.9 -30 0 0
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uraninite -30 0 0 -7.98 32 -30 0 0
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#
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brucite -4.73 59 0.5 -8.24 42 -30 0 0 # Table 32
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gibbsite -7.65 47.5 0.992 -11.5 61.2 -16.65 80.1 -0.784
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diaspore -30 0 0 -13.33 47.5 -23.6 47.5 -1.503
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brucite -4.73 59 0.5 -8.24 42 -30 0 0 # Table 32
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gibbsite -7.65 47.5 0.992 -11.5 61.2 -16.65 80.1 -0.784
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diaspore -30 0 0 -13.33 47.5 -23.6 47.5 -1.503
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#
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anglesite -5.58 31.3 0.298 -6.5 31.3 -30 0 0 # Table 34
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anhydrite -30 0 0 -3.19 14.3 -30 0 0
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gypsum -30 0 0 -2.79 0 -30 0 0
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barite -6.9 30.8 0.22 -7.9 30.8 -30 0 0
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celestite -5.66 23.8 0.109 -30 0 -30 0 0
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anglesite -5.58 31.3 0.298 -6.5 31.3 -30 0 0 # Table 34
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anhydrite -30 0 0 -3.19 14.3 -30 0 0
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gypsum -30 0 0 -2.79 0 -30 0 0
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barite -6.9 30.8 0.22 -7.9 30.8 -30 0 0
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celestite -5.66 23.8 0.109 -30 0 -30 0 0
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#
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hydroxyapatite -4.29 250 0.171 -6 250 -30 0 0 # Table 36
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fluorapatite -3.73 250 0.613 -8 250 -30 0 0
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hydroxyapatite -4.29 250 0.171 -6 250 -30 0 0 # Table 36
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fluorapatite -3.73 250 0.613 -8 250 -30 0 0
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#
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halite -30 0 0 -0.21 7.4 -30 0 0 # Table 37
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fluorite -7.14 73 1 -13.79 73 -30 0 0
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halite -30 0 0 -0.21 7.4 -30 0 0 # Table 37
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fluorite -7.14 73 1 -13.79 73 -30 0 0
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#
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# Acid Neutral P_CO2
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# log K E n(H+) log K E log K E n(P_CO2) Table
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# ================================================================================
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calcite -0.3 14.4 1 -5.81 23.5 -3.48 35.4 1 33 # specify Table number for P_CO2^n(P_CO2)
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dawsonite -30 0 0 -7 62.8 -30 0 0 33
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dolomite(d) -3.19 36.1 0.5 -7.53 52.2 -5.11 34.8 0.5 33
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dolomite -3.76 56.7 0.5 -8.6 95.3 -5.37 45.7 0.5 33
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magnesite -6.38 14.4 1 -9.34 23.5 -5.22 62.8 1 33
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calcite -0.3 14.4 1 -5.81 23.5 -3.48 35.4 1 33 # specify Table number for P_CO2^n(P_CO2)
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dawsonite -30 0 0 -7 62.8 -30 0 0 33
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dolomite(d) -3.19 36.1 0.5 -7.53 52.2 -5.11 34.8 0.5 33
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dolomite -3.76 56.7 0.5 -8.6 95.3 -5.37 45.7 0.5 33
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magnesite -6.38 14.4 1 -9.34 23.5 -5.22 62.8 1 33
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#
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# Acid and Fe+3 Neutral and O2 Base
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# log K E n(H+) n(Fe+3) log K E n(O2) log K E n(OH-) Table
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# =========================================================================================
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pyrite -7.52 56.9 -0.5 0.5 -4.55 56.9 0.5 -30 0 0 35 # specify Table number for Fe+3 and O2
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pyrrhotite(Mc) -8.04 50.8 -0.597 0.355 -30 0 0 -30 0 0 35
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pyrrhotite(Hx) -6.79 63 -0.09 0.356 -30 0 0 -30 0 0 35
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As2S3(a) -30 0 0 0 -9.83 8.7 0.18 -17.39 8.7 -1.208 35
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pyrite -7.52 56.9 -0.5 0.5 -4.55 56.9 0.5 -30 0 0 35 # specify Table number for Fe+3 and O2
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pyrrhotite(Mc) -8.04 50.8 -0.597 0.355 -30 0 0 -30 0 0 35
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pyrrhotite(Hx) -6.79 63 -0.09 0.356 -30 0 0 -30 0 0 35
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As2S3(a) -30 0 0 0 -9.83 8.7 0.18 -17.39 8.7 -1.208 35
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RATE_PARAMETERS_SVD
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# Table 4: E's Table 3: H+-reaction H2O-reaction CO2-reaction Organic_acids OH--reaction Table 5
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# H+ H2O CO2 Organic acids OH- pkH nH yAl CAl xBC CBC pkH2O yAl CAl xBC CBC zSi CSi pkCO2 nCO2 pkOrg nOrg COrg pkOH- wOH- yAl CAl xBC CBC zSi CSi # Num Mineral Formula
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# =================================================================================================================================================================================================================================================================================================
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Albite 3350 2500 1680 1200 3100 14.6 0.5 0.4 0.4 0.4 0.5 16.8 0.15 4 0.15 200 3 900 16.05 0.6 14.7 0.5 5 15.4 0.3 0.1 12 0.5 5 3 900 # 1.6 Albite NaAlSi3O8
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Quartz 3890 0 2200 2000 3320 18.4 0.3 0.3 5 0 500 17.8 0 5 0 5000 4 900 18 0.5 16.3 0.5 5 14.1 0.3 0.4 200 0 5000 1 900 # 8.3 Quartz SiO2
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Albite 3350 2500 1680 1200 3100 14.6 0.5 0.4 0.4 0.4 0.5 16.8 0.15 4 0.15 200 3 900 16.05 0.6 14.7 0.5 5 15.4 0.3 0.1 12 0.5 5 3 900 # 1.6 Albite NaAlSi3O8
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Quartz 3890 0 2200 2000 3320 18.4 0.3 0.3 5 0 500 17.8 0 5 0 5000 4 900 18 0.5 16.3 0.5 5 14.1 0.3 0.4 200 0 5000 1 900 # 8.3 Quartz SiO2
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RATE_PARAMETERS_HERMANSKA
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