PH Control Using CO2

Terms and Conditions for Possession and Use:
This spreadsheet calculation tool is the property of Trussell Technologies, Inc, herein TT, and is made available for
public use at no fee. Though this spreadsheet model was developed by TT for conducting various calculations using
theoretical and empirical principles, TT provides no guarantee of the accuracy of these calculations. By using this
spreadsheet, the user acknowledges and agrees that he or she is using it at his or her own risk. In using the
spreadsheet, the user takes all responsibility for its accuracy and the appropriateness of the uses of information
generated. In addition, in downloading, utilizing, or modifying the spreadsheet, the user hereby agrees to indemnify,
defend, and hold harmless TT, its owners, directors, employees, agents, and volunteers against any and all claims
resulting from the access or use of this spreadsheet by the user, or any other entity or person directly or indirectly
employed by the user, for any purpose whatsoever. This spreadsheet program is copyrighted by Pasadena Publishing
Co. 3780 Canfield Rd, Pasadena, CA 91107.
References:
Trussell, R. R. (1998). "Spreadsheet water conditioning." Journal / American Water Works Association 90(6): 70-81.
Spreadsheets are a powerful tool for solving water chemistry problems.
Thomas, J. F. and R. R. Trussell "COMPUTER APPLICATION TO WATER CONDITIONING CALCULATIONS." Journal / Ame
It is shown how a simple program was developed and how it can be applied to water conditioning problems. A speci
Trussell, R. and Thomas, J.F. (1971). A Discussion of the Chemical Character of Water Mixtures. Jour AWWA, 63(1), 49-51.
made available for

s calculations using
ns. By using this
In using the
s of information
agrees to indemnify,
any and all claims
ectly or indirectly
Pasadena Publishing
ciation 90(6): 70-81.
ALCULATIONS." Journal / American Water Works Association 62(4): 245-248.

conditioning problems. A specific example is described in detail and work in progress which involves more complex problems is discussed. S
s. Jour AWWA, 63(1), 49-51.
mplex problems is discussed. Simple bicarbonate-alkalinity system is used to demonstrate the computer's application. The predicted titration
ication. The predicted titration values shown along with the actual laboratory titration curve were calculated.
Instructions for Blending Spreadsheet:
This spreadsheet is designed to calculate the pH that will result from the blending of two water sources using the
assumption that carbonic acid is the dominant buffer of the system. The uncertainty of estimation is higher for the case
where either of the water sources are saturated with respect to Calcium Carbonate because precipitation of carbonates
may occur before mixing of the two waters occurs. The possibility of precipitation before blending is indicated by the
CCPP calculations above zero, as indicated on the inputs page. Water Quality Inputs can be entered in the next three
worksheets, with the third worksheet designating the volumetric contribution of each water source, but other water
quality characteristics calculated based on worksheets, "Input-A", and "Input-B". The results of blending can be seen on
the worksheets, "Input-Mix", and "Mix Results." Reference calculations can be found on all the subsequent worksheets.
ources using the

n is higher for the case
cipitation of carbonates
g is indicated by the
ered in the next three
e, but other water
ending can be seen on
ubsequent worksheets.
Input Water Quality

Cation
Anion
mg/L
Ca
++
meq/L mg/L
meq/L
Total Inorganic Carbon

Ct =
0.3
DIC =
4.0
as Ca
0.2
Alk
20
as CaCO3
0.4
Mg++
Na+
1.0
as Mg
0.1
as Na
0.2
as Cl
as SO4
0.0
ClSO4=
K+
0.1
as K
0.0
NO3-
0.0
as NO3
0.0
pHs =
9.43
0.7
as F
Sanions =
0.0
0.47
S.I. =
CCPP =
0.07
0
NH4+
0.0
as NH4
Scations =
0.0
0.46
Other Measures
Temperature at which pH was measured =
pH =
20 C
293.2 K
9.50 units
0.0
Ionic Str = 0.0006
Calcium Carbonate Saturation
Instructions:
Light yellow boxes are for data input
Light Green boxes are for output onl
R. Trussell, Trussell Tech. 200
4/3/2013
10:11 AM
rrt

mM/L
mg/L as C

pH units
pH units
mg/L as CaCO3

Light Green boxes are for output only
4/3/2013
10:11 AM
rrt
Input Water Quality

Cation
mg/L
Ca
++
Anion
meq/L mg/L
meq/L
152
as Ca
7.6
Alk
135
as CaCO3
2.7
Mg++
Na+
39.0
as Mg
3.3
53
as Na
2.2
430
as Cl
as SO4
1.5
50
ClSO4=
K+
5.0
as K
0.1
NO3-
1.0
as NO3
0.0
1.0
as F
Sanions =
NH4+
1.0
as NH4
0.1
Scations = 13.21
Other Measures
Temperature at which pH was measured =
pH =
20 C
293.2 K
7.30 units
9.0
0.1
13.22

Ct =
3.0
DIC =
35.7
Ionic Str = 0.0231

pHs =
7.23
S.I. =
CCPP =
0.07
3
Instructions:
4/3/2013
10:11 AM
rrt

mM/L
mg/L as C

pH units
pH units
mg/L as CaCO3

4/3/2013
10:11 AM
rrt
Input Water Quality

Anion
mg/L
Ca
++
Mg++
Na+
K+
NH4+
meq/L mg/L
44.0 as Ca
2.2
Alk
11.3 as Mg
0.9
16.4 as Na
0.7
ClSO4=
1.4
0.0
NO3-
0.3
as K
as NH4
Scations =
0.0
3.90
meq/L
51.1 as CaCO3
1.0
15.0 as Cl
116.1 as SO4
0.4
0.3
as NO3
0.0
pHs =
8.06
0.8
as F
Sanions =
0.0
3.91
S.I. =
CCPP =
-0.20
-1
Calculation from Mixture

Temp of Blended Water, Calculated =
pH of mixture, calculated =

Ct =
1.0
DIC =
12.6
20 C
293.2 K
7.86 units
2.4
Ionic Str = 0.0067
Instructions:
4/3/2013
10:11 AM
rrt

mM/L
mg/L as C

pH units
pH units
mg/L as CaCO3

4/3/2013
10:11 AM
rrt
pH vs % Water A
10.00
9.50
9.00
pH
8.50
73%, 7.9
8.00
7.50
7.00
6.50
6.00
0%
25%
50%
% Water A
75%
100%
Blending Two Waters

Water Input Info:
20.0
9.5
20.0
Water 2
20.0
7.3
135.0
10.00
9.50
9.00
pH
Water 1
Temp,C=
pH=
Alky, mg/L=
pH vs % Water 1
8.50
8.00
4/3/2013 10:11 AM
Estimation of CCO2: (based on Alk, pH and temp. at which pH is measured)

Values for Equilibrium constants at Temperature at which pH is measured
Reaction
H2CO3 = HCO3- + H+
HCO3- = CO3= + H+
H2O = H+ + OH-
pK TC
293.15
6.38
10.38
14.16
A1
A2
A3
A4
<< equals temperaure at which pH is measured
356.309
-21,834.4
-126.834
0.060920
107.887
-5,151.8
-38.926
0.032528
-6.088
4,471.0
0.000
0.017060
Estimation of CCO2 & DIC

Measured pH =
Measured H+ =
Factor =
s=
D=
Alk =
Alk =
CCO2 or Ct =
9.50
3.16E-10
1.55E-16
1.1257
2.225E-05
20
0.0004
3.36E-04
eq/m
eq/L
mg/L
eq/L
m/L
CCO2 or Ct =
DIC =
0.34
4.0
mM/L
mgC/L
m/L
mp. at which pH is measured)
ture at which pH is measured

A5
Reference
1,684,915.0 Plummer & Busenberg, 1982

563,713.9 Plummer & Busenberg, 1982
Harned & Owen, 1958
0.0
Calculation of the Saturation

pH by Standard Methods*
pK2 =
10.376
pKs =
E=
A=
I=
I =
pfm =
pCa =
HCO3- =
pHCO3 =
8.454
80.040
0.506
0.0006
0.0246
0.0121
4.000
0.00035
pHs =
3.451
9.433
* 19th Edition, 1995.
Calculation of the Calcium Carbonate Precipitation Potential

Equations
Defining Initial Calcium
Kso = Ca*Ct*a2
Alk = Ct*s + D
after ppt of X moles of CaCO3
Kso = [Ca - X][Ct - X]a2
Alk - 2X = [Ct - X]s + D
[s-2]X = Ct*s + D - Alk
Ca =
Ca =
Ca =
4
0.1
0.0001
CCCP
mole/L
-1.33E-06
mg/L as Ca
mmole/L
mole/L
X = [Ct*s + D - Alk]/[s - 2]
finding CCPP by trial and error
pH
7
10.5
8.75
9.625
9.1875
9.40625
9.515625
9.460938
9.488281
9.501953
9.508789
9.505371
9.50708
9.507935
9.508362
4/3/2013
H
1.00E-07
3.16E-11
1.78E-09
2.37E-10
6.49E-10
3.92E-10
3.05E-10
3.46E-10
3.25E-10
3.15E-10
3.10E-10
3.12E-10
3.11E-10
3.11E-10
3.10E-10
F
5.27E-14
3.30E-17
7.82E-16
1.21E-16
2.97E-16
1.87E-16
1.50E-16
1.67E-16
1.58E-16
1.54E-16
1.52E-16
1.53E-16
1.52E-16
1.52E-16
1.52E-16
s
8.11E-01
1.59E+00
1.02E+00
1.16E+00
1.06E+00
1.10E+00
1.13E+00
1.12E+00
1.12E+00
1.13E+00
1.13E+00
1.13E+00
1.13E+00
1.13E+00
1.13E+00
a2
3.71E-04
5.91E-01
2.50E-02
1.62E-01
6.58E-02
1.04E-01
1.30E-01
1.17E-01
1.23E-01
1.27E-01
1.29E-01
1.28E-01
1.28E-01
1.28E-01
1.29E-01
10:11 AM
D
-2.96E-08
2.23E-04
3.95E-06
2.97E-05
1.08E-05
1.79E-05
2.31E-05
2.03E-05
2.17E-05
2.24E-05
2.27E-05
2.25E-05
2.26E-05
2.27E-05
2.27E-05
X
1.08E-04
-8.72E-04
5.46E-05
-2.31E-05
3.42E-05
1.31E-05
-2.50E-06
5.84E-06
1.81E-06
-3.07E-07
-1.39E-06
-8.48E-07
-1.12E-06
-1.26E-06
-1.33E-06
F[pH]
1.00E+00
-1.57E+02
9.27E-01
-6.25E-01
7.03E-01
3.34E-01
-2.89E-02
1.75E-01
7.90E-02
2.67E-02
-6.72E-04
1.31E-02
6.25E-03
2.80E-03
1.06E-03
DpH
3.5
1.75
0.875
0.4375
0.21875
0.109375
0.0546875
0.0273438
0.0136719
0.0068359
0.003418
0.001709
0.0008545
0.0004272
0.0002136
rrt
137768933.xls.ms_office
Temperature Coefficients for a Variety of Acid-Base and Solubility Constants

Formula used for pK's: pK = a1 + a2/T + a3Log[T] + a4T + a5/T^2
Reaction
HSO4- = H+ + SO4=
=
HPO4 = PO4 + H
H3PO4 = H2PO4 + H
Citric Acid, K3
-
HAc = Ac + H
Citric Acid, K2
Al3+ + H2O = Al(OH)2+ + H+

2+
+ 2OH
Ca(OH)2s = Ca
H2CO3 = HCO3 + H
Citric Acid, K1
-
H2S = HS + H
+
=
H2PO4- = HPO4 + H
-
HOCl = OCl + H
CaCO3s = Ca2+ + CO3=
HCN = CN- + H+
B(OH)3 + H2O = B(OH)4- + H+
NH4+ = NH3 + H+
-
Si(OH)4 + H2O = SIO(OH)3 + H

3+
Al
+ 2H2O = Al(OH)2 + 2H
-
HCO3 = CO3 + H
3+
Al
+ 3H2O = Al(OH)3s + 3H
Mg(OH)2s = Mg
-
H2O2 = HO2 + H
+
H2O = H + OH
Al
3+
Al
+
+
2+
3+
+ 2OH
T=
293.15
pK[TK]
A1
A2
A3
A4
A5
Reference
1.94
-56.889
2,307.9
19.886
0.006473
0.0
Nordstrom etal, 1990
2.13
-3.212
602.7
0.000
0.011198
0.0
Data in Sillen & Martell, 1964,1971
2.13
-7.345
1,195.0
0.000
0.018400
0.0
Harned & Owen, 1958
3.15
4.77
4.78
-43.320
-49.400
-58.020
2,253.0
2,391.4
2,903.7
15.720
18.650
21.440
0.000000
0.000000
0.000000
0.0
0.0
0.0

5.15
38.253
656.3
-14.327
0.000000
0.0
5.03
-118.300
4,968.7
43.120
0.000000
0.0
6.38
356.309
-21,834.4
-126.834
0.060920
1,684,915.0
6.38
-81.730
3,771.8
30.500
0.000000
0.0
7.07
-29.337
6,067.6
0.000
0.053588
0.0
7.22
7.58
8.45
9.36
9.28
-4.408
-18.731
171.907
1.875
-3.687
1,836.0
4,245.5
-2,839.3
2,193.5
2,291.9
0.000
0.000
-71.595
0.000
0.000
0.018300
0.040344
0.077993
0.000000
0.017560
0.0
0.0
0.0
0.0
0.0
Harned & Owen, 1958

Plummer & Busenberg, 1982
Owen & King, 1943
9.41
-2.111
3,083.3
0.000
0.003415
0.0
9.91
302.372
-15,669.7
-108.185
0.050698
1,119,669.0
10.45
-88.500
9,391.6
27.121
0.000000
0.0
10.38
107.887
-5,151.8
-38.926
0.032528
563,713.9
Busey & Mesmer, 1977

11.13
-8.623
5,791.0
0.000
0.000000
0.0
10.83
16.570
-1,682.4
0.000
0.000000
0.0
11.75
5.573
1,811.6
0.000
0.000000
0.0
14.16
-6.088
4,471.0
0.000
0.017060
0.0
Harned & Owen, 1958
17.44
-226.374
18,247.8
73.597
0.000000
0.0
4-
23.19
-51.578
11,168.9
14.865
0.000000
0.0
+ 3H2O = Al(OH)3 + 3H
+ 4H2O = Al(OH) + 4H
Page 19
a Variety of Acid-Base and Solubility Constants

K


Page 20
Ionic Strength Corrections Using the Davies Equation

Form: Log[gz] = -A*Z2[I/(1+I) - 0.3I]
I=
g1 =
g2 =
g3 =
g4 =
4/3/2013
0.000604 Ionic Strength
I =
0.024578
A*Z2
Log[gz]
gz
0.506
-0.012
0.973
2.026
-0.048
0.895
4.557
-0.108
0.779
8.102
-0.193
0.641
10:11 AM
rrt
Correction of pK values for Ionic Strength

Reaction
HSO4- = H+ SO4=
HPO4= = PO4- + H+
H3PO4 = H2PO4- + H+
Citric Acid, K1
HAc = Ac- + H+
Citric Acid, K2
Al3+ + H2O = Al(OH)2+ + H+
Ca(OH)2s = Ca2+ + 2OHH2CO3 = HCO3- + H+
Citric Acid, K3
H2S = HS- + H+
H2PO4- = HPO4= + H+
HOCl = OCl- + H+
HCN = CN- + H+
B(OH)3 + H2O = B(OH)4- + H+
NH4+ = NH3 + H+
Si(OH)4 + H2O = SIO(OH)3- + H+
Al3+ + 2H2O = Al(OH)2+ + 2H+
HCO3- = CO3= + H+
Al3+ + 3H2O = Al(OH)3s + 3H+
Mg(OH)2s = Mg2+ + 2OHH2O2 = HO2- + H+
H2O = H+ + OHAl3+ + 3H2O = Al(OH)3 + 3H+
Al3+ + 4H2O = Al(OH)4- + 4H+
4/3/2013
Symbol
pK
KSO4_2
1.94
KPO4_3
2.13
KPO4_1
2.13
KCa_3
3.15
KAc_1
4.77
KCa_2
4.78
KAl_1
5.15
KCa[OH]2_so 5.03
KCO2_o
6.38
KCa_1
6.38
KH2S_1
7.07
KPO4_2
7.22
KHOCl_1
7.58
KCaCO3_so 8.45
KHCN_1
9.36
KB[OH]3_1 9.28
KNH3_1
9.41
KSi[OH]4_1 9.91
KAl_2
10.45
KCO2_2
10.38
KAl[OH]3_so 11.13
KMg[OH]2_so10.83
KH2O2_1
11.75
Kw
14.16
KAl_3
17.44
KAl_4
23.19
10:11 AM
K
1.14E-02
7.47E-03
7.49E-03
7.11E-04
1.70E-05
1.66E-05
7.15E-06
9.33E-06
4.15E-07
4.14E-07
8.51E-08
6.03E-08
2.64E-08
3.52E-09
4.39E-10
5.26E-10
3.91E-10
1.24E-10
3.57E-11
4.21E-11
7.39E-12
1.48E-11
1.77E-12
6.84E-15
3.60E-18
6.38E-24
K'
1.24E-02
8.58E-03
7.70E-03
7.31E-04
1.75E-05
1.81E-05
6.22E-06
1.20E-05
4.27E-07
4.76E-07
8.75E-08
6.55E-08
2.72E-08
4.39E-09
4.51E-10
5.41E-10
3.80E-10
1.27E-10
3.88E-11
4.58E-11
7.19E-12
1.74E-11
1.82E-12
7.04E-15
2.80E-18
5.11E-24
pK'
1.91
2.07
2.11
3.14
4.76
4.74
5.21
4.92
6.37
6.32
7.06
7.18
7.57
8.36
9.35
9.27
9.42
9.90
10.41
10.34
11.14
10.76
11.74
14.15
17.55
23.29
rrt

Reaction
H2CO3 = HCO3- + H+
HCO3- = CO3= + H+
H2O = H+ + OH-
pK TC
293.15
6.38
10.38
14.16
A1
A2
A3
A4
356.309
-21,834.4
-126.834
0.060920
107.887
-5,151.8
-38.926
0.032528
-6.088
4,471.0
0.000
0.017060

Measured pH =
7.30
+
Measured H = 5.01E-08
Factor =
2.66E-14
s=
0.9068
D=
1.079E-07
Alk =
135
Alk =
0.0027
CCO2 or Ct =
2.98E-03
CCO2 or Ct =
2.98
DIC =
35.7
m/L
eq/m
eq/L
mg/L
eq/L
m/L
mM/L
mgC/L
A5
1,684,915.0
563,713.9
0.0
h pH is measured)
ch pH is measured
Reference
Harned & Owen, 1958

pK2 =
10.376
pKs =
E=
A=
I=
I =
pfm =
pCa =
HCO3- =
pHCO3 =
8.454
80.040
0.506
0.0231
0.1521
0.0633
2.420
0.00270
pHs =
2.569
7.227

Equations
Kso = Ca*Ct*a2
Alk = Ct*s + D
Alk - 2X = [Ct - X]s + D
[s-2]X = Ct*s + D - Alk
Ca =
Ca =
Ca =
152
3.8
0.0038
CCCP
mole/L
3.28E-05
mg/L as Ca
mmole/L
mole/L
X = [Ct*s + D - Alk]/[s - 2]
pH
7
10.5
8.75
7.875
7.4375
7.21875
7.328125
7.273438
7.246094
7.232422
7.239258
7.242676
7.240967
7.241821
7.242249
4/3/2013
H
1.00E-07
3.16E-11
1.78E-09
1.33E-08
3.65E-08
6.04E-08
4.70E-08
5.33E-08
5.67E-08
5.86E-08
5.76E-08
5.72E-08
5.74E-08
5.73E-08
5.72E-08
F
5.81E-14
4.65E-17
8.88E-16
6.61E-15
1.89E-14
3.27E-14
2.48E-14
2.85E-14
3.05E-14
3.16E-14
3.10E-14
3.08E-14
3.09E-14
3.08E-14
3.08E-14
s
8.28E-01
1.67E+00
1.03E+00
9.78E-01
9.31E-01
8.89E-01
9.12E-01
9.01E-01
8.95E-01
8.92E-01
8.94E-01
8.95E-01
8.94E-01
8.95E-01
8.95E-01
a2
5.40E-04
6.73E-01
3.53E-02
4.74E-03
1.66E-03
9.58E-04
1.26E-03
1.10E-03
1.03E-03
9.92E-04
1.01E-03
1.02E-03
1.01E-03
1.02E-03
1.02E-03
10:11 AM
D
-2.08E-08
2.50E-04
4.45E-06
5.80E-07
1.80E-07
7.06E-08
1.22E-07
9.53E-08
8.28E-08
7.67E-08
7.97E-08
8.13E-08
8.05E-08
8.09E-08
8.11E-08
X
2.00E-04
-7.76E-03
-3.89E-04
-2.07E-04
-6.78E-05
4.69E-05
-1.50E-05
1.48E-05
3.05E-05
3.87E-05
3.46E-05
3.26E-05
3.36E-05
3.31E-05
3.28E-05
F[pH]
5.22E-01
-7.40E+03
-4.30E+01
-4.35E+00
-7.29E-01
6.70E-02
-2.77E-01
-9.33E-02
-1.04E-02
2.90E-02
9.49E-03
-3.90E-04
4.56E-03
2.09E-03
8.50E-04
DpH
3.5
1.75
0.875
0.4375
0.21875
0.109375
0.0546875
0.0273438
0.0136719
0.0068359
0.003418
0.001709
0.0008545
0.0004272
0.0002136
rrt

Reaction
HSO4- = H+ + SO4=
=
HPO4 = PO4 + H
H3PO4 = H2PO4 + H
Citric Acid, K3
-
HAc = Ac + H
Citric Acid, K2
Al3+ + H2O = Al(OH)2+ + H+

2+
+ 2OH
Ca(OH)2s = Ca
H2CO3 = HCO3 + H
Citric Acid, K1
-
H2S = HS + H
+
=
H2PO4- = HPO4 + H
-
HOCl = OCl + H
HCN = CN- + H+
B(OH)3 + H2O = B(OH)4- + H+
NH4+ = NH3 + H+
-

3+
Al
+ 2H2O = Al(OH)2 + 2H
-
HCO3 = CO3 + H
3+
Al
+ 3H2O = Al(OH)3s + 3H
Mg(OH)2s = Mg
-
H2O2 = HO2 + H
+
H2O = H + OH
Al
3+
Al
+
+
2+
3+
+ 2OH
T=
293.15
pK[TK]
A1
A2
A3
A4
A5
Reference
1.94
-56.889
2,307.9
19.886
0.006473
0.0
2.13
-3.212
602.7
0.000
0.011198
0.0
2.13
-7.345
1,195.0
0.000
0.018400
0.0
Harned & Owen, 1958
3.15
4.77
4.78
-43.320
-49.400
-58.020
2,253.0
2,391.4
2,903.7
15.720
18.650
21.440
0.000000
0.000000
0.000000
0.0
0.0
0.0

5.15
38.253
656.3
-14.327
0.000000
0.0
5.03
-118.300
4,968.7
43.120
0.000000
0.0
6.38
356.309
-21,834.4
-126.834
0.060920
1,684,915.0
6.38
-81.730
3,771.8
30.500
0.000000
0.0
7.07
-29.337
6,067.6
0.000
0.053588
0.0
7.22
7.58
8.45
9.36
9.28
-4.408
-18.731
171.907
1.875
-3.687
1,836.0
4,245.5
-2,839.3
2,193.5
2,291.9
0.000
0.000
-71.595
0.000
0.000
0.018300
0.040344
0.077993
0.000000
0.017560
0.0
0.0
0.0
0.0
0.0
Harned & Owen, 1958

Owen & King, 1943
9.41
-2.111
3,083.3
0.000
0.003415
0.0
9.91
302.372
-15,669.7
-108.185
0.050698
1,119,669.0
10.45
-88.500
9,391.6
27.121
0.000000
0.0
10.38
107.887
-5,151.8
-38.926
0.032528
563,713.9

11.13
-8.623
5,791.0
0.000
0.000000
0.0
10.83
16.570
-1,682.4
0.000
0.000000
0.0
11.75
5.573
1,811.6
0.000
0.000000
0.0
14.16
-6.088
4,471.0
0.000
0.017060
0.0
Harned & Owen, 1958
17.44
-226.374
18,247.8
73.597
0.000000
0.0
4-
23.19
-51.578
11,168.9
14.865
0.000000
0.0
+ 3H2O = Al(OH)3 + 3H
+ 4H2O = Al(OH) + 4H
Page 27

K


Page 28

Form: Log[gz] = -A*Z2[I/(1+I) - 0.3I]
I=
g1 =
g2 =
g3 =
g4 =
4/3/2013
0.02312
Ionic Strength
I =
0.152052
A*Z2
Log[gz]
gz
0.506
-0.063
0.864
2.026
-0.253
0.558
4.557
-0.570
0.269
8.102
-1.013
0.097
10:11 AM
rrt

Reaction
HSO4- = H+ SO4=
HPO4= = PO4- + H+
H3PO4 = H2PO4- + H+
Citric Acid, K1
HAc = Ac- + H+
Citric Acid, K2
Al3+ + H2O = Al(OH)2+ + H+
Citric Acid, K3
H2S = HS- + H+
H2PO4- = HPO4= + H+
HOCl = OCl- + H+
HCN = CN- + H+
B(OH)3 + H2O = B(OH)4- + H+
NH4+ = NH3 + H+
Al3+ + 2H2O = Al(OH)2+ + 2H+
HCO3- = CO3= + H+
Al3+ + 3H2O = Al(OH)3s + 3H+
Mg(OH)2s = Mg2+ + 2OHH2O2 = HO2- + H+
H2O = H+ + OHAl3+ + 3H2O = Al(OH)3 + 3H+
Al3+ + 4H2O = Al(OH)4- + 4H+
4/3/2013
Symbol
pK
KSO4_2
1.94
KPO4_3
2.13
KPO4_1
2.13
KCa_3
3.15
KAc_1
4.77
KCa_2
4.78
KAl_1
5.15
KCa[OH]2_so 5.03
KCO2_o
6.38
KCa_1
6.38
KH2S_1
7.07
KPO4_2
7.22
KHOCl_1
7.58
KCaCO3_so 8.45
KHCN_1
9.36
KB[OH]3_1 9.28
KNH3_1
9.41
KSi[OH]4_1 9.91
KAl_2
10.45
KCO2_2
10.38
KAl[OH]3_so 11.13
KMg[OH]2_so10.83
KH2O2_1
11.75
Kw
14.16
KAl_3
17.44
KAl_4
23.19
10:11 AM
K
1.14E-02
7.47E-03
7.49E-03
7.11E-04
1.70E-05
1.66E-05
7.15E-06
9.33E-06
4.15E-07
4.14E-07
8.51E-08
6.03E-08
2.64E-08
3.52E-09
4.39E-10
5.26E-10
3.91E-10
1.24E-10
3.57E-11
4.21E-11
7.39E-12
1.48E-11
1.77E-12
6.84E-15
3.60E-18
6.38E-24
K'
1.77E-02
1.55E-02
8.67E-03
8.23E-04
1.97E-05
2.57E-05
3.45E-06
3.46E-05
4.80E-07
8.59E-07
9.84E-08
9.34E-08
3.06E-08
1.13E-08
5.08E-10
6.09E-10
3.38E-10
1.43E-10
5.54E-11
6.52E-11
6.39E-12
3.54E-11
2.04E-12
7.92E-15
9.69E-19
1.99E-24
pK'
1.75
1.81
2.06
3.08
4.71
4.59
5.46
4.46
6.32
6.07
7.01
7.03
7.51
7.95
9.29
9.22
9.47
9.84
10.26
10.19
11.19
10.45
11.69
14.10
18.01
23.70
rrt

Reaction
H2CO3 = HCO3- + H+
HCO3- = CO3= + H+
H2O = H+ + OH-
pK TC
293.15
6.38
10.38
14.16
A1
A2
A3
A4
356.309
-21,834.4
-126.834
0.060920
107.887
-5,151.8
-38.926
0.032528
-6.088
4,471.0
0.000
0.017060

Measured pH =
Measured H+ =
Factor =
s=
D=
Alk =
Alk =
CCO2 or Ct =
7.86
1.39E-08
6.51E-15
0.9740
5.219E-07
51.05
0.001021
1.05E-03
eq/m
eq/L
mg/L
eq/L
m/L
CCO2 or Ct =
DIC =
1.05
12.6
mM/L
mgC/L
m/L
mp. at which pH is measured)
ture at which pH is measured

A5
Reference
1,684,915.0 Plummer & Busenberg, 1982

563,713.9 Plummer & Busenberg, 1982
Harned & Owen, 1958
0.0

pK2 =
10.376
pKs =
E=
A=
I=
I =
pfm =
pCa =
HCO3- =
pHCO3 =
8.454
80.040
0.506
0.0067
0.0818
0.0373
2.959
0.00102
pHs =
2.992
8.059

Equations
Kso = Ca*Ct*a2
Alk = Ct*s + D
Alk - 2X = [Ct - X]s + D
[s-2]X = Ct*s + D - Alk
Ca =
Ca =
Ca =
43.96
1.099
0.001099
CCCP
mole/L
-1.33E-05
mg/L as Ca
mmole/L
mole/L
X = [Ct*s + D - Alk]/[s - 2]
pH
7
10.5
8.75
7.875
8.3125
8.09375
7.984375
8.039063
8.066406
8.052734
8.045898
8.049316
8.047607
8.046753
8.04718
4/3/2013
H
1.00E-07
3.16E-11
1.78E-09
1.33E-08
4.87E-09
8.06E-09
1.04E-08
9.14E-09
8.58E-09
8.86E-09
9.00E-09
8.93E-09
8.96E-09
8.98E-09
8.97E-09
F
5.53E-14
3.89E-17
8.32E-16
6.23E-15
2.25E-15
3.73E-15
4.82E-15
4.24E-15
3.98E-15
4.11E-15
4.17E-15
4.14E-15
4.16E-15
4.17E-15
4.16E-15
s
8.19E-01
1.63E+00
1.03E+00
9.75E-01
1.00E+00
9.89E-01
9.83E-01
9.86E-01
9.88E-01
9.87E-01
9.87E-01
9.87E-01
9.87E-01
9.87E-01
9.87E-01
a2
4.46E-04
6.33E-01
2.96E-02
3.95E-03
1.09E-02
6.60E-03
5.11E-03
5.81E-03
6.19E-03
6.00E-03
5.90E-03
5.95E-03
5.93E-03
5.91E-03
5.92E-03
10:11 AM
D
-2.54E-08
2.36E-04
4.19E-06
5.46E-07
1.53E-06
9.17E-07
7.09E-07
8.07E-07
8.60E-07
8.33E-07
8.20E-07
8.26E-07
8.23E-07
8.21E-07
8.22E-07
X
1.38E-04
-2.52E-03
-5.94E-05
-1.44E-06
-2.86E-05
-1.61E-05
-9.22E-06
-1.28E-05
-1.45E-05
-1.36E-05
-1.32E-05
-1.34E-05
-1.33E-05
-1.32E-05
-1.33E-05
F[pH]
9.44E-01
-1.17E+03
-4.44E+00
3.47E-01
-9.02E-01
-1.20E-01
1.43E-01
1.97E-02
-4.81E-02
-1.37E-02
3.14E-03
-5.24E-03
-1.04E-03
1.05E-03
6.31E-06
DpH
3.5
1.75
0.875
0.4375
0.21875
0.109375
0.0546875
0.0273438
0.0136719
0.0068359
0.003418
0.001709
0.0008545
0.0004272
0.0002136
rrt

Reaction
HSO4- = H+ + SO4=
=
HPO4 = PO4 + H
H3PO4 = H2PO4 + H
Citric Acid, K3
-
HAc = Ac + H
Citric Acid, K2
Al3+ + H2O = Al(OH)2+ + H+

2+
+ 2OH
Ca(OH)2s = Ca
H2CO3 = HCO3 + H
Citric Acid, K1
-
H2S = HS + H
+
=
H2PO4- = HPO4 + H
-
HOCl = OCl + H
HCN = CN- + H+
B(OH)3 + H2O = B(OH)4- + H+
NH4+ = NH3 + H+
-

3+
Al
+ 2H2O = Al(OH)2 + 2H
-
HCO3 = CO3 + H
3+
Al
+ 3H2O = Al(OH)3s + 3H
Mg(OH)2s = Mg
-
H2O2 = HO2 + H
+
H2O = H + OH
Al
3+
Al
+
+
2+
3+
+ 2OH
T=
293.15
pK[TK]
A1
A2
A3
A4
A5
Reference
1.94
-56.889
2,307.9
19.886
0.006473
0.0
2.13
-3.212
602.7
0.000
0.011198
0.0
2.13
-7.345
1,195.0
0.000
0.018400
0.0
Harned & Owen, 1958
3.15
4.77
4.78
-43.320
-49.400
-58.020
2,253.0
2,391.4
2,903.7
15.720
18.650
21.440
0.000000
0.000000
0.000000
0.0
0.0
0.0

5.15
38.253
656.3
-14.327
0.000000
0.0
5.03
-118.300
4,968.7
43.120
0.000000
0.0
6.38
356.309
-21,834.4
-126.834
0.060920
1,684,915.0
6.38
-81.730
3,771.8
30.500
0.000000
0.0
7.07
-29.337
6,067.6
0.000
0.053588
0.0
7.22
7.58
8.45
9.36
9.28
-4.408
-18.731
171.907
1.875
-3.687
1,836.0
4,245.5
-2,839.3
2,193.5
2,291.9
0.000
0.000
-71.595
0.000
0.000
0.018300
0.040344
0.077993
0.000000
0.017560
0.0
0.0
0.0
0.0
0.0
Harned & Owen, 1958

Owen & King, 1943
9.41
-2.111
3,083.3
0.000
0.003415
0.0
9.91
302.372
-15,669.7
-108.185
0.050698
1,119,669.0
10.45
-88.500
9,391.6
27.121
0.000000
0.0
10.38
107.887
-5,151.8
-38.926
0.032528
563,713.9

11.13
-8.623
5,791.0
0.000
0.000000
0.0
10.83
16.570
-1,682.4
0.000
0.000000
0.0
11.75
5.573
1,811.6
0.000
0.000000
0.0
14.16
-6.088
4,471.0
0.000
0.017060
0.0
Harned & Owen, 1958
17.44
-226.374
18,247.8
73.597
0.000000
0.0
4-
23.19
-51.578
11,168.9
14.865
0.000000
0.0
+ 3H2O = Al(OH)3 + 3H
+ 4H2O = Al(OH) + 4H
Page 35

K


Page 36

Form: Log[gz] = -A*Z2[I/(1+I) - 0.3I]
I=
g1 =
g2 =
g3 =
g4 =
4/3/2013
0.006683 Ionic Strength
I =
0.081751
A*Z2
Log[gz]
gz
0.506
-0.037
0.918
2.026
-0.149
0.710
4.557
-0.335
0.462
8.102
-0.596
0.253
10:11 AM
rrt

Reaction
HSO4- = H+ SO4=
HPO4= = PO4- + H+
H3PO4 = H2PO4- + H+
Citric Acid, K1
HAc = Ac- + H+
Citric Acid, K2
Al3+ + H2O = Al(OH)2+ + H+
Citric Acid, K3
H2S = HS- + H+
H2PO4- = HPO4= + H+
HOCl = OCl- + H+
HCN = CN- + H+
B(OH)3 + H2O = B(OH)4- + H+
NH4+ = NH3 + H+
Al3+ + 2H2O = Al(OH)2+ + 2H+
HCO3- = CO3= + H+
Al3+ + 3H2O = Al(OH)3s + 3H+
Mg(OH)2s = Mg2+ + 2OHH2O2 = HO2- + H+
H2O = H+ + OHAl3+ + 3H2O = Al(OH)3 + 3H+
Al3+ + 4H2O = Al(OH)4- + 4H+
4/3/2013
Symbol
pK
KSO4_2
1.94
KPO4_3
2.13
KPO4_1
2.13
KCa_3
3.15
KAc_1
4.77
KCa_2
4.78
KAl_1
5.15
KCa[OH]2_so 5.03
KCO2_o
6.38
KCa_1
6.38
KH2S_1
7.07
KPO4_2
7.22
KHOCl_1
7.58
KCaCO3_so 8.45
KHCN_1
9.36
KB[OH]3_1 9.28
KNH3_1
9.41
KSi[OH]4_1 9.91
KAl_2
10.45
KCO2_2
10.38
KAl[OH]3_so 11.13
KMg[OH]2_so10.83
KH2O2_1
11.75
Kw
14.16
KAl_3
17.44
KAl_4
23.19
10:11 AM
K
1.14E-02
7.47E-03
7.49E-03
7.11E-04
1.70E-05
1.66E-05
7.15E-06
9.33E-06
4.15E-07
4.14E-07
8.51E-08
6.03E-08
2.64E-08
3.52E-09
4.39E-10
5.26E-10
3.91E-10
1.24E-10
3.57E-11
4.21E-11
7.39E-12
1.48E-11
1.77E-12
6.84E-15
3.60E-18
6.38E-24
K'
1.48E-02
1.15E-02
8.16E-03
7.75E-04
1.86E-05
2.15E-05
4.66E-06
2.02E-05
4.52E-07
6.36E-07
9.27E-08
7.80E-08
2.88E-08
6.98E-09
4.78E-10
5.73E-10
3.59E-10
1.35E-10
4.62E-11
5.45E-11
6.78E-12
2.47E-11
1.93E-12
7.46E-15
1.66E-18
3.21E-24
pK'
1.83
1.94
2.09
3.11
4.73
4.67
5.33
4.69
6.34
6.20
7.03
7.11
7.54
8.16
9.32
9.24
9.45
9.87
10.34
10.26
11.17
10.61
11.72
14.13
17.78
23.49
rrt

PH Control Using CO2

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PH Control Using CO2

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ciation 90(6): 70-81.

ALCULATIONS." Journal / American Water Works Association 62(4): 245-248.

s. Jour AWWA, 63(1), 49-51.

Instructions for Blending Spreadsheet:

ources using the

Input Water Quality

Total Inorganic Carbon

Ionic Str = 0.0006

Calcium Carbonate Saturation

R. Trussell, Trussell Tech. 200

Total Inorganic Carbon

Calcium Carbonate Saturation

Light yellow boxes are for data input

Input Water Quality

Total Inorganic Carbon

Calcium Carbonate Saturation

R. Trussell, Trussell Tech. 200

Total Inorganic Carbon

Calcium Carbonate Saturation

Light yellow boxes are for data input

Input Water Quality

Calculation from Mixture

Total Inorganic Carbon

Ionic Str = 0.0067

Calcium Carbonate Saturation

R. Trussell, Trussell Tech. 200

Total Inorganic Carbon

Calcium Carbonate Saturation

Light yellow boxes are for data input

Blending Two Waters

Estimation of CCO2: (based on Alk, pH and temp. at which pH is measured)

Estimation of CCO2 & DIC

mp. at which pH is measured)

ture at which pH is measured

1,684,915.0 Plummer & Busenberg, 1982

Calculation of the Saturation

* 19th Edition, 1995.

Calculation of the Calcium Carbonate Precipitation Potential

Temperature Coefficients for a Variety of Acid-Base and Solubility Constants

Al3+ + H2O = Al(OH)2+ + H+

Si(OH)4 + H2O = SIO(OH)3 + H

Nordstrom etal, 1990

Data in Sillen & Martell, 1964,1971

Harned & Owen, 1958

Data in Sillen & Martell, 1964,1971

Nordstrom etal, 1990

Data in Sillen & Martell, 1964,1971

Data in Sillen & Martell, 1964,1971

Data in Sillen & Martell, 1964,1971

Harned & Owen, 1958

Data in Sillen & Martell, 1964,1971

Plummer & Busenberg, 1982

Busey & Mesmer, 1977

Nordstrom etal, 1990

Data in Sillen & Martell, 1964,1971

Data in Sillen & Martell, 1964,1971

Harned & Owen, 1958

Nordstrom etal, 1990

Nordstrom etal, 1990

a Variety of Acid-Base and Solubility Constants

Data in Sillen & Martell, 1964,1971