Table II

Temperature dependence of Pitzer interaction parameters. 25°C-centric equation used to derive parameters: χ(T) = a1 + a2[{1/T}-{l/298.15}] + a3 In{T/298.15} + a4{T - 298.15}.



Pitzer interaction parameters





Ion interactions

Coefficients
a1
a2
a3
a4
Reference

Ca++
Cl-

4.46 × 10-1
2.21 × 102
1.61 × 10-11
2.28 × 10-4
Sterner et al. [34]



-1.66 × 10
-8.83 × 103
7.10 × 10-11
-2.49 × 10-2




0.00
0.00
0.00
0.00




-1.73 × 10-2
-1.30 × 101
-3.87 × 10-13
-3.15 × 10-5

Ca++
HCO3-

4.00 × 10-1
0.00
0.00
0.00
Pitzer [13]



2.98
0.00
0.00
0.00




0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00

Ca++
HSO4-

2.15 × 10-1
0.00
0.00
0.00
Pitzer [13]



2.53
0.00
0.00
0.00




0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00

Ca++
NO3-

1.48 × 10-1
-4.88 × 101
-7.47 × 10-2
-1.70 × 10-4
Oakes and Felmy [28]



2.44
-2.24 × 104
-9.93 × 101
1.19 × 10-1




0.00
0.00
0.00
0.00




-4.12 × 10-3
-1.79 × 101
-1.19 × 10-1
1.87 × 10-4

Ca++
SO4--

1.50 × 10-1
0.00
0.00
0.00
Greenberg and Moller [21]



3.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00

H+
Cl-

1.77 × 10-1
-3.35 × 101
-2.62 × 10-1
1.26 × 10-4
Holmes et al. [27]



2.93 × 10-1
3.40 × 103
1.98 × 101
-2.79 × 10-2




0.00
0.00
0.00
0.00




3.62 × 10-4
-2.91 × 10-11
0.00
-3.04 × 10-5

H+
HSO4-

2.09 × 10-1
1.05 × 103
5.96
-8.78 × 10-3
Holmes and Mesmer [24]



4.41 × 10-1
2.96 × 102
2.37
-4.63 × 10-3




0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00

H+
NO3-

1.26 × 10-1
5.60 × 102
4.92
-9.95 × 10-3
Felmy et al. [32]



2.88 × 10-1
2.71 × 10-7
1.59 × 10-9
1.34 × 10-3




0.00
0.00
0.00
0.00




-5.60 × 10-3
-6.58
-5.77 × 10-2
1.10 × 10-4

H+
SO4--

9.86 × 10-2
-6.70 × 103
-4.17 × 101
6.37 × 10-2
Pabalan and Pitzer [47]



0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00




5.93 × 10-2
-3.03 × 103
-1.61 × 101
2.02 × 10-2

K+
Cl-

4.78 × 10-2
-3.43 × 102
-1.38
1.34 × 10-3
Greenberg and Moller [21]



2.16 × 10-1
-5.76 × 102
-2.88
4.64 × 10-3




0.00
0.00
0.00
0.00




-7.49 × 10-4
3.65 × 101
1.48 × 10-1
-1.47 × 10-4

K+
CO3--

1.29 × 10-1
0.00
0.00
0.00
Pitzer [13]



1.43
0.00
0.00
0.00




0.00
0.00
0.00
0.00




4.99 × 10-4
0.00
0.00
0.00

K+
F-

8.09 × 10-2
0.00
0.00
0.00
Pitzer [13]



2.02 × 10-1
0.00
0.00
0.00




0.00
0.00
0.00
0.00




9.30 × 10-4
0.00
0.00
0.00

K+
HCO3-

-1.07 × 10-2
0.00
0.00
0.00
Pitzer [13]



4.78 × 10-2
0.00
0.00
0.00




0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00

K+
HSO4-

-3.00 × 10-4
0.00
0.00
0.00
Pitzer [13]



1.74 × 10-1
0.00
0.00
0.00




0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00

K+
NO3-

-8.16 × 10-2
0.00
0.00
0.00
Pitzer [13]



4.94 × 10-2
0.00
0.00
0.00




0.00
0.00
0.00
0.00




6.60 × 10-3
0.00
0.00
0.00

K+
OH-

1.30 × 10-1
0.00
0.00
0.00
Pitzer [13]



3.20 × 10-1
0.00
0.00
0.00




0.00
0.00
0.00
0.00




4.10 × 10-3
0.00
0.00
0.00

K+
SO4--

5.55 × 10-2
-1.42 × 103
-6.75
8.27 × 10-3
Greenberg and Moller [21]



7.96 × 10-1
2.07 × 103
2.33 × 10-10
2.36 × 10-2




0.00
0.00
0.00
0.00




-1.88 × 10-2
0.00
9.09 × 10-13
-2.66 × 10-15

Mg++
Cl-

3.51 × 10-1
-6.56 × 101
-5.25 × 10-1
4.47 × 10-4
Pabalan and Pitzer [47]



1.65
-2.87 × 103
-2.30 × 101
4.95 × 10-2




0.00
0.00
0.00
0.00




6.53 × 10-3
-2.67 × 101
-2.14 × 10-1
3.11 × 10-4

Mg++
HCO3-

3.30 × 10-2
0.00
0.00
0.00
Pitzer [13]



8.50 × 10-1
0.00
0.00
0.00




0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00

Mg++
HSO4-

4.75 × 10-1
0.00
0.00
0.00
Pitzer [13]



1.73
0.00
0.00
0.00




0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00

Mg++
NO3-

3.67 × 10-1
0.00
0.00
0.00
Pitzer [13]



1.58
0.00
0.00
0.00




0.00
0.00
0.00
0.00




-2.06 × 10-2
0.00
0.00
0.00

Mg++
SO4--

2.23 × 10-1
-5.69 × 103
-3.28 × 101
4.73 × 10-2
Pabalan and Pitzer [47]



3.38
-2.32 × 104
-1.39 × 102
2.18 × 10-1




-3.53 × 101
2.17 × 106
1.40 × 104
-2.28 × 101




2.44 × 10-2
1.89 × 103
1.08 × 101
-1.56 × 10-2

MgOH+
Cl-

-1.00 × 10-1
0.00
0.00
0.00
Pitzer [13]



1.66
0.00
0.00
0.00




0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00

Na+
Cl-

7.46 × 10-2
-4.71 × 102
-1.85
1.66 × 10-3
Greenberg and Moller [21]



2.75 × 10-1
-5.21 × 102
-2.88
4.71 × 10-3




0.00
0.00
0.00
0.00




1.54 × 10-3
4.81 × 101
1.75 × 10-1
-1.56 × 10-4

Na+
CO3--

3.62 × 10-2
1.11 × 103
1.12 × 101
-2.33 × 10-2
He and Morse [26]



1.5
4.41 × 103
4.46 × 101
-9.99 × 10-2




0.00
0.00
0.00
0.00




5.20 × 10-3
0.00
0.00
8.88 × 10-16

Na+
F-

2.15 × 10-2
0.00
0.00
0.00
Pitzer [13]



2.11 × 10-1
0.00
0.00
0.00




0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00

Na+
HCO3-

2.80 × 10-2
6.83 × 102
6.90
-1 .45 × 1 0-2
He and Morse [26]



4.40 × 10-2
1.13 × 103
1.14 × 101
-2.45 × 10-2




0.00
0.00
0.00
0.00




0.00
0.00
0.00
0.00

Na+
HSO4-

7.34 × 10-2
5.26 × 101
4.21 × 10-1
-8.21 × 10-4
Holmes and Mesmer [24]



3.00 × 10-1
4.70 × 103
2.68 × 101
-3.74 × 10-2




0.00
0.00
0.00
0.00




-4.62 × 10-3
-5.82 × 10-11
-2.27 × 10-13
6.82 × 10-6

Na+
NO3-

3.57 × 10-3
-7.03 × 102
-3.35
3.98 × 10-3
Archer [33]



2.32 × 10-1
-2.73 × 103
-1.30 × 101
2.07 × 10-2




0.00
0.00
0.00
0.00




-4.15 × 10-5
6.48 × 101
3.18 × 10-1
-3.84 × 10-4

Na+
OH-

8.83 × 10-2
-1.20 × 103
-6.11
7.43 × 10-3
He and Morse [26]



2.44 × 10-1
1.63 × 103
9.48
-1.16 × 10-2




0.00
0.00
0.00
0.00




4.00 × 10-3
8.82 × 101
4.07 × 10-1
-4.76 × 10-4

Na+
SO4--

1.21 × 10-2
-2.19 × 103
-1.01 × 101
1.20 × 10-2
Greenberg and Moller [21]



1.12
-1.27 × 104
-6.72 × 101
8.91 × 10-2




0.00
0.00
0.00
0.00




6.57 × 10-3
3.39 × 102
1.48
-1.64 × 10-3

Ca++
H+
sθMM'
9.20 × 10-2
0.00
0.00
0.00
Pitzer [13]
Ca++
K+
sθMM'
1.16 × 10-1
9.31 × 10-10
0.00
1.42 × 10-14
Greenberg and Moller [21]
Ca++
Na+
sθMM'
5.00 × 10-2
1.86 × 10-9
7.28 × 10-12
0.00
Greenberg and Moller [21]
Ca++
Mg++
sθMM'
7.00 × 10-3
0.00
0.00
0.00
Pitzer [13]
H+
K+
sθMM'
5.00 × 10-3
0.00
0.00
0.00
Pitzer [13]
H+
Mg++
sθMM'
1.00 × 10-1
0.00
0.00
0.00
Pitzer [13]
H+
Na+
sθMM'
3.60 × 10-2
0.00
0.00
0.00
Pitzer [13]
K+
Mg++
sθMM'
0.00
0.00
0.00
0.00
Pabalan and Pitzer [47]
K+
Na+
sθMM'
-3.20 × 10-3
1.40 × 101
9.09 × 10-13
-2.66 × 10-15
Greenberg and Moller [21]
Mg++
Na+
sθMM'
7.00 × 10-2
0.00
0.00
0.00
Pitzer [13]
Cl-
CO3--
sθXX'
-2.00 × 10-2
0.00
0.00
0.00
Pitzer [13]
Cl-
HCO3-
sθXX'
3.00 × 10-2
0.00
0.00
0.00
Pitzer [13]
Cl-
HSO4-
sθXX'
-6.00 × 10-3
0.00
0.00
0.00
Pitzer [13]
Cl-
NO3-
sθXX'
1.60 × 10-2
0.00
0.00
0.00
Pitzer [13]
Cl-
OH-
sθXX'
-5.00 × 10-2
0.00
0.00
0.00
Pabalan and Pitzer [47]
Cl-
SO4--
sθXX'
7.03 × 10-2
1.83 × 102
1.33
-2.33 × 10-3
Greenberg and Moller [21]
CO3--
HCO3-
sθXX'
-4.00 × 10-2
0.00
0.00
0.00
Pitzer [13]
CO3--
OH-
sθXX'
1.00 × 10-1
0.00
0.00
0.00
Pitzer [13]
CO3--
SO4--
sθXX'
2.00 × 10-2
0.00
0.00
0.00
Pitzer [13]
HCO3-
SO4--
sθXX'
1.00 × 10-2
0.00
0.00
0.00
Pitzer [13]
HSO4-
SO4--
sθXX'
-1.17 × 10-1
-3.09 × 103
-1.40 × 101
1.54 × 10-2
Holmes and Mesmer [24]
OH-
SO4--
sθXX'
-1.30 × 10-2
0.00
0.00
0.00
Pabalan and Pitzer [47]
CO2(aq)
Ca++
sλNM
1.98 × 10-1
-6.51 × 104
-4.03 × 102
-6.18 × 10-1
He and Morse [26]
CO2(aq)
H+
sλNM
0.00
0.00
0.00
0.00
He and Morse [26]
CO2(aq)
K+
sλNM
4.58 × 10-2
1.37 × 104
8.36 × 101
-1.28 × 10-1
He and Morse [26]
CO2(aq)
Mg++
sλNM
1.95 × 10-1
-3.96 × 103
-3.17 × 101
5.70 × 10-2
He and Morse [26]
CO2(aq)
Na+
sλNM
7.75 × 10-2
-1.92 × 104
-1.17 × 102
1.75 × 10-1
He and Morse [26]
SiO2(aq)
H+
sλNM
0.00
0.00
0.00
0.00
Felmy et al. [32]
SiO2(aq)
Mg++
sλNM
8.21 × 10-2
-3. 83 × 10-9
-2.33 × 10-11
-1.81 × 10-3
Felmy et al. [32]
SiO2(aq)
Na+
sλNM
-7.89 × 10-2
-1.44 × 10-7
-8.64 × 10-10
1.19 × 10-4
Felmy et al. [32]
CO2(aq)
Cl-
sλNX
2.02 × 10-2
5.08 × 103
3.01 × 101
-4.47 × 10-2
He and Morse [26]
CO2(aq)
HSO4-
sλNX
-3.00 × 10-3
0.00
0.00
0.00
He and Morse [26]
CO2(aq)
SO4--
sλNX
1.39 × 10-1
4.99 × 104
.09 × 102
-4.55 × 10-1
He and Morse [26]
SiO2(aq)
Cl-
sλNX
1.42 × 10-1
1.67 × 102
1.51
-3.22 × 10-3
Felmy et al. [32]
SiO2(aq)
NO3-
sλNX
1.34 × 10-1
6.30 × 103
3.55 × 101
-5.02 × 10-2
Felmy et al. [32]
SiO2(aq)
SO4--
sλNX
7.76 × 10-2
1.56 × 10-7
9.33 × 10-10
5.53 × 10-4
Felmy et al. [32]
Ca++K+
Cl-
ψMM'X
-4.32 × 10-2
-2.71 × 101
-3.64 × 10-12
3.55 × 10-15
Greenberg and Moller [21]
Ca++Na+
Cl-
ψMM'X
-3.00 × 10-3
0.00
1.14 × 10-13
-6.66 × 10-16
Greenberg and Moller [21]
Ca++Na+
SO4--
ψMM'X
-1.20 × 10-2
0.00
4.55 × 10-13
-2.66 × 10-15
Greenberg and Moller [21]
K+Mg++
Cl-
ψMM'X
-2.20 × 10-2
-1.43 × 101
0.00
0.00
Pabalan and Pitzer [47]
K+Na+
Cl-
ψMM'X
-3.69 × 10-3
-5.10
-3.41 × 10-13
6.66 × 10-16
Greenberg and Moller [21]
K+Na+
SO4--
ψMM'X
7.32 × 10-3
-7.16 × 101
-3.94 × 10-1
6.07 × 10-4
Greenberg and Moller [21]
Mg++Na+
Cl-
ψMM'X
-1.20 × 10-2
-9.51
0.00
0.00
Pabalan and Pitzen [47]
Ca++Cl-
SO4--
ψMXX'
-1.80 × 10-2
-6.98 × 10-10
-2.73 × 10-12
1.78 × 10-15
Greenberg and Moller [21]
K+Cl-
SO4--
ψMXX'
-1.62 × 10-3
3.76 × 101
2.90 × 10-12
2.85 × 10-4
Greenberg and Moller [21]
H+HSO4-
SO4--
ψMXX'
0.00
0.00
0.00
0.00
Holmes and Mesmer [24]
Mg++Cl-
SO4--
ψMXX'
-7.96 × 10-3
3.26 × 101
0.00
0.00
Pabalan and Pitzer [47]
Na+Cl-
OH-
ψMXX'
-6.01 × 10-3
-9.93
0.00
0.00
Pabalan and Pitzer [47]
Na+Cl-
SO4--
ψMXX'
-9.09 × 10-3
-7.86 × 101
-5.52 × 10-1
9.46 × 10-4
Greenberg and Moller [21]
Na+HSO4-
SO4--
ψMXX'
1.44 × 10-2
2.58 × 102
1.16
-1.26 × 10-3
Holmes and Mesmer [24]
Na+OH-
SO4--
ψMXX'
-9.10 × 10-3
-1.17 × 101
0.00
0.00
Pabalan and Pitzer [47]
CO2(aq)
Ca++Cl-
ξNMX
-1.61 × 10-2
6.25 × 103
3.90 × 101
-6.04 × 10-2
He and Morse [26]
CO2(aq)
H+Cl-
ξNMX
-4.65 × 10-3
-1.31 × 103
-7.26
9.96 × 10-3
He and Morse [26]
CO2(aq)
H+SO4--
ξNMX
0.00
0.00
0.00
0.00
He and Morse [26]
CO2(aq)
K+ Cl-
ξNMX
-1.27 × 10-2
-9.33 × 103
-5.65 × 101
8.56 × 10-2
He and Morse [26]
CO2(aq)
K+SO4--
ξNMX
-4.10 × 10-4
-1.12 × 105
-6.84 × 102
1.04
He and Morse [26]
CO2(aq)
Mg++Cl-
ξNMX
-1.53 × 10-2
-3.32 × 103
-1.97 × 101
2.94 × 10-2
He and Morse [26]
CO2(aq)
Mg++SO4--
ξNMX
-9.28 × 10-2
-6.09 × 104
-3.64 × 102
5.44 × 10-1
He and Morse [26]
CO2(aq)
Na+Cl-
ξNMX
-5.50 × 10-4
-3.97 × 103
-2.44 × 101
3.73 × 10-2
He and Morse [26]
CO2(aq)
Na+SO4--
ξNMX
-3.73 × 10-2
-8.84 × 103
-5.48 × 101
8.49 × 10-2
He and Morse [26]
SiO2(aq)
H+NO3-
ξNMX
-3.30 × 10-3
0.00
0.00
0.00
Felmy et al. [32]
SiO2(aq)
Mg++ Cl-
ξNMX
-5.15 × 10-2
1.50 × 10-8
8.99 × 10-11
5.94 × 10-4
Felmy et al. [32]
SiO2(aq)
Na+Cl-
ξNMX
-8.48 × 10-15
-1.84 × 10-8
-1.11 × 10-10
-2.00 × 10-4
Felmy et al. [32]

Alai et al. Geochemical Transactions 2005 6:31   doi:10.1186/1467-4866-6-31