ph control using co2

8/23/2019 pH Control Using CO2

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Terms and Conditions for Possession and Use:

References:

Trussell, R. R. (1998). "Spreadsheet water conditioning." Journal / American Water Works Association 90(6):

Spreadsheets are a powerful tool for solving water chemistry problems.

Thomas, J. F. and R. R. Trussell "COMPUTER APPLICATION TO WATER CONDITIONING CALCULATION

It is shown how a simple program was developed and how it can be applied to water conditioning

Trussell, R. and Thomas, J.F. (1971). A Discussion of the Chemical Character of Water Mixtures. Jour AW

This spreadsheet calculation tool is the property of Trussell Technologies, Inc, herein TT, and is made availa

public use at no fee. Though this spreadsheet model was developed by TT for conducting various calculation

theoretical and empirical principles, TT provides no guarantee of the accuracy of these calculations. By using

spreadsheet, the user acknowledges and agrees that he or she is using it at his or her own risk. In using thespreadsheet, the user takes all responsibility for its accuracy and the appropriateness of the uses of informati

generated. In addition, in downloading, utilizing, or modifying the spreadsheet, the user hereby agrees to ind

defend, and hold harmless TT, its owners, directors, employees, agents, and volunteers against any and allresulting from the access or use of this spreadsheet by the user, or any other entity or person directly or indir

employed by the user, for any purpose whatsoever. This spreadsheet program is copyrighted by Pasadena P

Co. 3780 Canfield Rd, Pasadena, CA 91107.


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70-81.

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

roblems. A specific example is described in detail and work in progress which involves more complex proble

A, 63(1), 49-51.

le for

using

this

n

mnify,

laimsctly

ublishing


3/38

s is discussed. Simple bicarbonate-alkalinity system is used to demonstrate the computer's application. The


4/38

redicted titration values shown along with the actual laboratory titration curve were calculated.


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Instructions for Blending Spreadsheet:

This spreadsheet is designed to calculate the pH that will result from the blending of two water sources using

assumption that carbonic acid is the dominant buffer of the system. The uncertainty of estimation is higher fo

where either of the water sources are saturated with respect to Calcium Carbonate because precipitation of cmay occur before mixing of the two waters occurs. The possibility of precipitation before blending is indicated

CCPP calculations above zero, as indicated on the inputs page. Water Quality Inputs can be entered in the n

worksheets, with the third worksheet designating the volumetric contribution of each water source, but other

quality characteristics calculated based on worksheets, "Input-A", and "Input-B". The results of blending can b

the worksheets, "Input-Mix", and "Mix Results." Reference calculations can be found on all the subsequent w


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the

r the case

rbonatesby the

xt three

ater

e seen on

rksheets.


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Input Water Quality Total Inorganic

Cation Anion Ct = 0.3

mg/L meq/L mg/L meq/L DIC = 4.0Ca

++4 as Ca 0.2 Alk 20 as CaCO3 0.4 Ionic Str = 0.0006

Mg++

1.0 as Mg 0.1 Cl-

1 as Cl 0.0

Na+

4 as Na 0.2 SO4=

0 as SO4 0.0 Calcium Carbo

K+

0.1 as K 0.0 NO3-

0.0 as NO3 0.0 pHs = 9.43

NH4+

0.0 as NH4 0.0 F-

0.7 as F 0.0 S.I. = 0.07

S cations = 0.46 S anions = 0.47 CCPP = 0

Instructions:

20 C Light yellow boxes are

293.2 K Light Green boxes are

pH = 9.50 units

R. Trussell, Tru

Other Measures

Temperature at which pH was measured =

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arbon

mM/L

mg/L as C

ate Saturation

pH units

pH units

mg/L as CaCO3

fordata input

foroutput only

ssell Tech. 2009

4/3/2013 10:11 AM rrt


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Cation Anion Ct = 3.0


++152 as Ca 7.6 Alk 135 as CaCO3 2.7 Ionic Str = 0.0231

Mg++

39.0 as Mg 3.3 Cl-

53 as Cl 1.5

Na+

50 as Na 2.2 SO4=

430 as SO4 9.0 Calcium Carbo

K+

5.0 as K 0.1 NO3-

1.0 as NO3 0.0 pHs = 7.23

NH4+

1.0 as NH4 0.1 F-

1.0 as F 0.1 S.I. = 0.07

S cations = 13.21 S anions = 13.22 CCPP = 3

Instructions:



pH = 7.30 units

R. Trussell, Tru

Other Measures

Temperature at which pH was measured =

4/3/2013 10:11 AM rrt


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arbon

mM/L

mg/L as C

ate Saturation

pH units

pH units

mg/L as CaCO3

fordata input

foroutput only

ssell Tech. 2009

4/3/2013 10:11 AM rrt


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Anion Ct = 1.0


++44.0 as Ca 2.2 Alk 51.1 as CaCO3 1.0 Ionic Str = 0.0067

Mg++

11.3 as Mg 0.9 Cl-

15.0 as Cl 0.4

Na+

16.4 as Na 0.7 SO4=

116.1 as SO4 2.4 Calcium Carbo

K+

1.4 as K 0.0 NO3-

0.3 as NO3 0.0 pHs = 8.06

NH4+

0.3 as NH4 0.0 F-

0.8 as F 0.0 S.I. = -0.20

S cations = 3.90 S anions = 3.91 CCPP = -1

Instructions:



pH of mixture, calculated = 7.86 units

R. Trussell, Tru

Calculation from Mixture

Temp of Blended Water, Calculated =

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arbon

mM/L

mg/L as C

ate Saturation

pH units

pH units

mg/L as CaCO3

fordata input

foroutput only

ssell Tech. 2009

4/3/2013 10:11 AM rrt


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73%, 7.9

6.00

6.50

7.00

7.50

8.00

8.50

9.00

9.50

10.00

0% 25% 50% 75% 100%

pH

% Water A

pH vs % Water A


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Blending Two WatersWater Input Info:

Water 1 Water 2

Temp,C= 20.0 20.0

pH= 9.5 7.3

Alky, mg/L= 20.0 135.0

8.50

9.00

9.50

10.00

pH

p

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Reaction pK TC A1 A2 A3 A4

293.15


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A5 Reference

1,684,915.0

563,713.9

0.0 Harned & Owen, 1958

h pH is measured)

ich pH is measured

Plummer & Busenberg, 1982



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pK2 = 10.376

pKs = 8.454

E = 80.040A = 0.506

I = 0.0006

I = 0.0246pfm = 0.0121

pCa = 4.000

HCO3-= 0.00035

pHCO3 = 3.451

pHs = 9.433

* 19th Edition, 1995.

Calculation of the Saturation

pH by Standard Methods*


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Calculation of the Calcium Carbonate Precipitation Potenti

EquationsKso = Ca*Ct*a 2 Defining Initial Calcium CCAlk = Ct*s + D Ca = 4 mg/L as Ca mole/L

after ppt of X moles of CaCO3 Ca = 0.1 mmole/L -1.33E-06

Kso = [Ca - X][Ct - X]a 2 Ca = 0.0001 mole/L

Alk - 2X = [Ct- X]s + D

[s -2]X = Ct*s + D - Alk

X = [Ct*s + D - Alk]/[s - 2]

finding CCPP by trial and error

pH H F s a 2 D X F[pH] DpH

7 1.00E-07 5.27E-14 8.11E-01 3.71E-04 -2.96E-08 1.08E-04 1.00E+00 3.5

10.5 3.16E-11 3.30E-17 1.59E+00 5.91E-01 2.23E-04 -8.72E-04 -1.57E+02 1.75

8.75 1.78E-09 7.82E-16 1.02E+00 2.50E-02 3.95E-06 5.46E-05 9.27E-01 0.875

9.625 2.37E-10 1.21E-16 1.16E+00 1.62E-01 2.97E-05 -2.31E-05 -6.25E-01 0.4375

9.1875 6.49E-10 2.97E-16 1.06E+00 6.58E-02 1.08E-05 3.42E-05 7.03E-01 0.21875

9.40625 3.92E-10 1.87E-16 1.10E+00 1.04E-01 1.79E-05 1.31E-05 3.34E-01 0.109375

9.515625 3.05E-10 1.50E-16 1.13E+00 1.30E-01 2.31E-05 -2.50E-06 -2.89E-02 0.0546875

9.460938 3.46E-10 1.67E-16 1.12E+00 1.17E-01 2.03E-05 5.84E-06 1.75E-01 0.0273438

9.488281 3.25E-10 1.58E-16 1.12E+00 1.23E-01 2.17E-05 1.81E-06 7.90E-02 0.01367199.501953 3.15E-10 1.54E-16 1.13E+00 1.27E-01 2.24E-05 -3.07E-07 2.67E-02 0.0068359

9.508789 3.10E-10 1.52E-16 1.13E+00 1.29E-01 2.27E-05 -1.39E-06 -6.72E-04 0.003418

9.505371 3.12E-10 1.53E-16 1.13E+00 1.28E-01 2.25E-05 -8.48E-07 1.31E-02 0.001709

9.50708 3.11E-10 1.52E-16 1.13E+00 1.28E-01 2.26E-05 -1.12E-06 6.25E-03 0.0008545

9.507935 3.11E-10 1.52E-16 1.13E+00 1.28E-01 2.27E-05 -1.26E-06 2.80E-03 0.0004272

9.508362 3.10E-10 1.52E-16 1.13E+00 1.29E-01 2.27E-05 -1.33E-06 1.06E-03 0.0002136

4/3/2013 10:11 AM


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137768933.xls.ms_office

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

Formula used for pK's: pK =a1 +a2/T +a3Log[T] +a4T +a5/T 2 T = 293.15

Reaction pK[TK] A1 A2 A3 A4 A5 Reference

HSO4-= H

++ SO4

= 1.94 -56.889 2,307.9 19.886 0.006473 0.0 Nordstrom etal, 1990

HPO4=

= PO4 + H+ 2.13 -3.212 602.7 0.000 0.011198 0.0 Data in Sillen & Martell,

H3PO4 = H2PO4-+ H

+ 2.13 -7.345 1,195.0 0.000 0.018400 0.0 Harned & Owen, 1958

Citric Acid, K3 3.15 -43.320 2,253.0 15.720 0.000000 0.0 Data in Sillen & Martell,

HAc = Ac-+ H

+ 4.77 -49.400 2,391.4 18.650 0.000000 0.0 Data in Sillen & Martell,


Al3+

+ H2O = Al(OH)2+

+ H+ 5.15 38.253 656.3 -14.327 0.000000 0.0 Nordstrom etal, 1990

Ca(OH)2s = Ca2+

+ 2OH- 5.03 -118.300 4,968.7 43.120 0.000000 0.0 Data in Sillen & Martell,

H2CO3 = HCO3-+ H

+ 6.38 356.309 -21,834.4 -126.834 0.060920 1,684,915.0 Plummer & Busenberg,


H2S = HS-+ H


H2PO4- = HPO4=

+ H+ 7.22 -4.408 1,836.0 0.000 0.018300 0.0 Harned & Owen, 1958

HOCl = OCl-+ H


CaCO3s = Ca2+

+ CO3= 8.45 171.907 -2,839.3 -71.595 0.077993 0.0 Plummer & Busenberg,

HCN = CN-+ H

+ 9.36 1.875 2,193.5 0.000 0.000000 0.0 Data in Sillen & Martell,

B(OH)3 + H2O = B(OH)4-

+ H+

9.28 -3.687 2,291.9 0.000 0.017560 0.0 Owen & King, 1943NH4

+= NH3 + H


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

+ 9.91 302.372 -15,669.7 -108.185 0.050698 1,119,669.0 Busey & Mesmer, 1977

Al3+

+ 2H2O = Al(OH)2+

+ 2H+ 10.45 -88.500 9,391.6 27.121 0.000000 0.0 Nordstrom etal, 1990

HCO3-= CO3

=+ H

+ 10.38 107.887 -5,151.8 -38.926 0.032528 563,713.9 Plummer & Busenberg,

Al3+

+ 3H2O = Al(OH)3s + 3H+ 11.13 -8.623 5,791.0 0.000 0.000000 0.0 Nordstrom etal, 1990

Mg(OH)2s = Mg2+

+ 2OH- 10.83 16.570 -1,682.4 0.000 0.000000 0.0 Data in Sillen & Martell,

H2O2 = HO2-+ H


H2O = H+

+ OH- 14.16 -6.088 4,471.0 0.000 0.017060 0.0 Harned & Owen, 1958

Al3+

+ 3H2O = Al(OH)3+ 3H

+ 17.44 -226.374 18,247.8 73.597 0.000000 0.0 Nordstrom etal, 1990

Al3+

+ 4H2O = Al(OH)4-

+ 4H+ 23.19 -51.578 11,168.9 14.865 0.000000 0.0 Nordstrom etal, 1990

Page 19


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K

,1971

,1971,1971

,1971

,1971

,1971

,1971

,1971

,1971

,1971

,1971

,1971

Page 20


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Ionic Strength Corrections Using the Davies EquationForm: Log[g z] = -A*Z2[I/(1+I) - 0.3I]

I = 0.000604 Ionic Strength I = 0.024578

Z A*Z2

Log[g z] g zg 1 = 1 0.506 -0.012 0.973g 2 = 2 2.026 -0.048 0.895g 3 = 3 4.557 -0.108 0.779g 4 = 4 8.102 -0.193 0.641

4/3/2013 10:11 AM rrt


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Correction of pK values for Ionic Strength

Reaction Symbol pK K K' pK'HSO4- = H+ SO4= KSO4_2 1.94 1.14E-02 1.24E-02 1.91

HPO4= = PO4- + H+ KPO4_3 2.13 7.47E-03 8.58E-03 2.07

H3PO4 = H2PO4- + H+ KPO4_1 2.13 7.49E-03 7.70E-03 2.11

Citric Acid, K1 KCa_3 3.15 7.11E-04 7.31E-04 3.14

HAc = Ac- + H+ KAc_1 4.77 1.70E-05 1.75E-05 4.76Citric Acid, K2 KCa_2 4.78 1.66E-05 1.81E-05 4.74

Al3+ + H2O = Al(OH)2+ + H+ KAl_1 5.15 7.15E-06 6.22E-06 5.21

Ca(OH)2s = Ca2+ + 2OH- KCa[OH]2_s 5.03 9.33E-06 1.20E-05 4.92

H2CO3 = HCO3- + H+ KCO2_o 6.38 4.15E-07 4.27E-07 6.37


H2S = HS- + H+ KH2S_1 7.07 8.51E-08 8.75E-08 7.06

H2PO4-= HPO4

=+ H

+KPO4_2 7.22 6.03E-08 6.55E-08 7.18

HOCl = OCl- + H+ KHOCl_1 7.58 2.64E-08 2.72E-08 7.57

CaCO3s = Ca2+ + CO3= KCaCO3_so 8.45 3.52E-09 4.39E-09 8.36

HCN = CN- + H+ KHCN_1 9.36 4.39E-10 4.51E-10 9.35

B(OH)3 + H2O = B(OH)4- + H+ KB[OH]3_1 9.28 5.26E-10 5.41E-10 9.27

NH4+ = NH3 + H+ KNH3_1 9.41 3.91E-10 3.80E-10 9.42Si(OH)4 + H2O = SIO(OH)3- + H+ KSi[OH]4_1 9.91 1.24E-10 1.27E-10 9.90

Al3+ + 2H2O = Al(OH)2+ + 2H+ KAl_2 10.45 3.57E-11 3.88E-11 10.41

HCO3- = CO3= + H+ KCO2_2 10.38 4.21E-11 4.58E-11 10.34

Al3+ + 3H2O = Al(OH)3s + 3H+ KAl[OH]3_s 11.13 7.39E-12 7.19E-12 11.14

Mg(OH)2s = Mg2+ + 2OH- KMg[OH]2_ 10.83 1.48E-11 1.74E-11 10.76

H2O2 = HO2- + H+ KH2O2_1 11.75 1.77E-12 1.82E-12 11.74

H2O = H+ + OH- Kw 14.16 6.84E-15 7.04E-15 14.15

Al3+ + 3H2O = Al(OH)3 + 3H+ KAl_3 17.44 3.60E-18 2.80E-18 17.55

Al3+ + 4H2O = Al(OH)4- + 4H+ KAl_4 23.19 6.38E-24 5.11E-24 23.29

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Reaction pK TC A1 A2 A3 A4 A5

293.15


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Reference

Harned & Owen, 1958

asured)

easured




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pK2 = 10.376

pKs = 8.454

E = 80.040A = 0.506

I = 0.0231

I = 0.1521pfm = 0.0633

pCa = 2.420

HCO3-= 0.00270

pHCO3 = 2.569

pHs = 7.227





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EquationsKso = Ca*Ct*a 2 Defining Initial Calcium CCAlk = Ct*s + D Ca = 152 mg/L as Ca mole/L

after ppt of X moles of CaCO3 Ca = 3.8 mmole/L 3.28E-05


Alk - 2X = [Ct- X]s + D

[s -2]X = Ct*s + D - Alk

X = [Ct*s + D - Alk]/[s - 2]



7 1.00E-07 5.81E-14 8.28E-01 5.40E-04 -2.08E-08 2.00E-04 5.22E-01 3.5

10.5 3.16E-11 4.65E-17 1.67E+00 6.73E-01 2.50E-04 -7.76E-03 -7.40E+03 1.75

8.75 1.78E-09 8.88E-16 1.03E+00 3.53E-02 4.45E-06 -3.89E-04 -4.30E+01 0.875

7.875 1.33E-08 6.61E-15 9.78E-01 4.74E-03 5.80E-07 -2.07E-04 -4.35E+00 0.4375

7.4375 3.65E-08 1.89E-14 9.31E-01 1.66E-03 1.80E-07 -6.78E-05 -7.29E-01 0.21875

7.21875 6.04E-08 3.27E-14 8.89E-01 9.58E-04 7.06E-08 4.69E-05 6.70E-02 0.109375

7.328125 4.70E-08 2.48E-14 9.12E-01 1.26E-03 1.22E-07 -1.50E-05 -2.77E-01 0.0546875

7.273438 5.33E-08 2.85E-14 9.01E-01 1.10E-03 9.53E-08 1.48E-05 -9.33E-02 0.0273438

7.246094 5.67E-08 3.05E-14 8.95E-01 1.03E-03 8.28E-08 3.05E-05 -1.04E-02 0.01367197.232422 5.86E-08 3.16E-14 8.92E-01 9.92E-04 7.67E-08 3.87E-05 2.90E-02 0.0068359

7.239258 5.76E-08 3.10E-14 8.94E-01 1.01E-03 7.97E-08 3.46E-05 9.49E-03 0.003418

7.242676 5.72E-08 3.08E-14 8.95E-01 1.02E-03 8.13E-08 3.26E-05 -3.90E-04 0.001709

7.240967 5.74E-08 3.09E-14 8.94E-01 1.01E-03 8.05E-08 3.36E-05 4.56E-03 0.0008545

7.241821 5.73E-08 3.08E-14 8.95E-01 1.02E-03 8.09E-08 3.31E-05 2.09E-03 0.0004272

7.242249 5.72E-08 3.08E-14 8.95E-01 1.02E-03 8.11E-08 3.28E-05 8.50E-04 0.0002136

4/3/2013 10:11 AM


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HSO4-= H

++ SO4

= 1.94 -56.889 2,307.9 19.886 0.006473 0.0 Nordstrom etal, 1990

HPO4=


H3PO4 = H2PO4-+ H

+ 2.13 -7.345 1,195.0 0.000 0.018400 0.0 Harned & Owen, 1958


HAc = Ac-+ H



Al3+

+ H2O = Al(OH)2+

+ H+ 5.15 38.253 656.3 -14.327 0.000000 0.0 Nordstrom etal, 1990

Ca(OH)2s = Ca2+


H2CO3 = HCO3-+ H



H2S = HS-+ H


H2PO4- = HPO4=

+ H+ 7.22 -4.408 1,836.0 0.000 0.018300 0.0 Harned & Owen, 1958

HOCl = OCl-+ H


CaCO3s = Ca2+


HCN = CN-+ H


B(OH)3 + H2O = B(OH)4-

+ H+

9.28 -3.687 2,291.9 0.000 0.017560 0.0 Owen & King, 1943NH4

+= NH3 + H



+ 9.91 302.372 -15,669.7 -108.185 0.050698 1,119,669.0 Busey & Mesmer, 1977

Al3+

+ 2H2O = Al(OH)2+

+ 2H+ 10.45 -88.500 9,391.6 27.121 0.000000 0.0 Nordstrom etal, 1990

HCO3-= CO3

=+ H


Al3+


Mg(OH)2s = Mg2+


H2O2 = HO2-+ H


H2O = H+

+ OH- 14.16 -6.088 4,471.0 0.000 0.017060 0.0 Harned & Owen, 1958

Al3+

+ 3H2O = Al(OH)3+ 3H

+ 17.44 -226.374 18,247.8 73.597 0.000000 0.0 Nordstrom etal, 1990

Al3+

+ 4H2O = Al(OH)4-

+ 4H+ 23.19 -51.578 11,168.9 14.865 0.000000 0.0 Nordstrom etal, 1990

Page 27


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K

,1971

,1971,1971

,1971

,1971

,1971

,1971

,1971

,1971

,1971

,1971

,1971

Page 28


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Z A*Z2

Log[g z] g zg 1 = 1 0.506 -0.063 0.864g 2 = 2 2.026 -0.253 0.558g 3 = 3 4.557 -0.570 0.269g 4 = 4 8.102 -1.013 0.097

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HPO4= = PO4- + H+ KPO4_3 2.13 7.47E-03 1.55E-02 1.81

H3PO4 = H2PO4- + H+ KPO4_1 2.13 7.49E-03 8.67E-03 2.06



Al3+ + H2O = Al(OH)2+ + H+ KAl_1 5.15 7.15E-06 3.45E-06 5.46


H2CO3 = HCO3- + H+ KCO2_o 6.38 4.15E-07 4.80E-07 6.32


H2S = HS- + H+ KH2S_1 7.07 8.51E-08 9.84E-08 7.01

H2PO4-= HPO4

=+ H

+KPO4_2 7.22 6.03E-08 9.34E-08 7.03



HCN = CN- + H+ KHCN_1 9.36 4.39E-10 5.08E-10 9.29



Al3+ + 2H2O = Al(OH)2+ + 2H+ KAl_2 10.45 3.57E-11 5.54E-11 10.26

HCO3- = CO3= + H+ KCO2_2 10.38 4.21E-11 6.52E-11 10.19



H2O2 = HO2- + H+ KH2O2_1 11.75 1.77E-12 2.04E-12 11.69

H2O = H+ + OH- Kw 14.16 6.84E-15 7.92E-15 14.10

Al3+ + 3H2O = Al(OH)3 + 3H+ KAl_3 17.44 3.60E-18 9.69E-19 18.01

Al3+ + 4H2O = Al(OH)4- + 4H+ KAl_4 23.19 6.38E-24 1.99E-24 23.70

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Reaction pK TC A1 A2 A3 A4

293.15


32/38

A5 Reference

1,684,915.0

563,713.9

0.0 Harned & Owen, 1958

ch pH is measured)

ich pH is measured




33/38

pK2 = 10.376

pKs = 8.454

E = 80.040A = 0.506

I = 0.0067

I = 0.0818pfm = 0.0373

pCa = 2.959

HCO3-= 0.00102

pHCO3 = 2.992

pHs = 8.059





34/38


EquationsKso = Ca*Ct*a 2 Defining Initial Calcium CCAlk = Ct*s + D Ca = 43.96 mg/L as Ca mole/L

after ppt of X moles of CaCO3 Ca = 1.099 mmole/L -1.33E-05


Alk - 2X = [Ct- X]s + D

[s -2]X = Ct*s + D - Alk

X = [Ct*s + D - Alk]/[s - 2]



7 1.00E-07 5.53E-14 8.19E-01 4.46E-04 -2.54E-08 1.38E-04 9.44E-01 3.5

10.5 3.16E-11 3.89E-17 1.63E+00 6.33E-01 2.36E-04 -2.52E-03 -1.17E+03 1.75

8.75 1.78E-09 8.32E-16 1.03E+00 2.96E-02 4.19E-06 -5.94E-05 -4.44E+00 0.875

7.875 1.33E-08 6.23E-15 9.75E-01 3.95E-03 5.46E-07 -1.44E-06 3.47E-01 0.4375

8.3125 4.87E-09 2.25E-15 1.00E+00 1.09E-02 1.53E-06 -2.86E-05 -9.02E-01 0.21875

8.09375 8.06E-09 3.73E-15 9.89E-01 6.60E-03 9.17E-07 -1.61E-05 -1.20E-01 0.109375

7.984375 1.04E-08 4.82E-15 9.83E-01 5.11E-03 7.09E-07 -9.22E-06 1.43E-01 0.0546875

8.039063 9.14E-09 4.24E-15 9.86E-01 5.81E-03 8.07E-07 -1.28E-05 1.97E-02 0.0273438

8.066406 8.58E-09 3.98E-15 9.88E-01 6.19E-03 8.60E-07 -1.45E-05 -4.81E-02 0.01367198.052734 8.86E-09 4.11E-15 9.87E-01 6.00E-03 8.33E-07 -1.36E-05 -1.37E-02 0.0068359

8.045898 9.00E-09 4.17E-15 9.87E-01 5.90E-03 8.20E-07 -1.32E-05 3.14E-03 0.003418

8.049316 8.93E-09 4.14E-15 9.87E-01 5.95E-03 8.26E-07 -1.34E-05 -5.24E-03 0.001709

8.047607 8.96E-09 4.16E-15 9.87E-01 5.93E-03 8.23E-07 -1.33E-05 -1.04E-03 0.0008545

8.046753 8.98E-09 4.17E-15 9.87E-01 5.91E-03 8.21E-07 -1.32E-05 1.05E-03 0.0004272

8.04718 8.97E-09 4.16E-15 9.87E-01 5.92E-03 8.22E-07 -1.33E-05 6.31E-06 0.0002136

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HSO4-= H

++ SO4

= 1.94 -56.889 2,307.9 19.886 0.006473 0.0 Nordstrom etal, 1990

HPO4=


H3PO4 = H2PO4-+ H

+ 2.13 -7.345 1,195.0 0.000 0.018400 0.0 Harned & Owen, 1958


HAc = Ac-+ H



Al3+

+ H2O = Al(OH)2+

+ H+ 5.15 38.253 656.3 -14.327 0.000000 0.0 Nordstrom etal, 1990

Ca(OH)2s = Ca2+


H2CO3 = HCO3-+ H



H2S = HS-+ H


H2PO4- = HPO4=

+ H+ 7.22 -4.408 1,836.0 0.000 0.018300 0.0 Harned & Owen, 1958

HOCl = OCl-+ H


CaCO3s = Ca2+


HCN = CN-+ H


B(OH)3 + H2O = B(OH)4-

+ H+

9.28 -3.687 2,291.9 0.000 0.017560 0.0 Owen & King, 1943NH4

+= NH3 + H



+ 9.91 302.372 -15,669.7 -108.185 0.050698 1,119,669.0 Busey & Mesmer, 1977

Al3+

+ 2H2O = Al(OH)2+

+ 2H+ 10.45 -88.500 9,391.6 27.121 0.000000 0.0 Nordstrom etal, 1990

HCO3-= CO3

=+ H


Al3+


Mg(OH)2s = Mg2+


H2O2 = HO2-+ H


H2O = H+

+ OH- 14.16 -6.088 4,471.0 0.000 0.017060 0.0 Harned & Owen, 1958

Al3+

+ 3H2O = Al(OH)3+ 3H

+ 17.44 -226.374 18,247.8 73.597 0.000000 0.0 Nordstrom etal, 1990

Al3+

+ 4H2O = Al(OH)4-

+ 4H+ 23.19 -51.578 11,168.9 14.865 0.000000 0.0 Nordstrom etal, 1990

Page 35


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K

,1971

,1971,1971

,1971

,1971

,1971

,1971

,1971

,1971

,1971

,1971

,1971

Page 36


37/38



Z A*Z2

Log[g z] g zg 1 = 1 0.506 -0.037 0.918g 2 = 2 2.026 -0.149 0.710g 3 = 3 4.557 -0.335 0.462g 4 = 4 8.102 -0.596 0.253

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HPO4= = PO4- + H+ KPO4_3 2.13 7.47E-03 1.15E-02 1.94

H3PO4 = H2PO4- + H+ KPO4_1 2.13 7.49E-03 8.16E-03 2.09



Al3+ + H2O = Al(OH)2+ + H+ KAl_1 5.15 7.15E-06 4.66E-06 5.33


H2CO3 = HCO3- + H+ KCO2_o 6.38 4.15E-07 4.52E-07 6.34


H2S = HS- + H+ KH2S_1 7.07 8.51E-08 9.27E-08 7.03

H2PO4-= HPO4

=+ H

+KPO4_2 7.22 6.03E-08 7.80E-08 7.11



HCN = CN- + H+ KHCN_1 9.36 4.39E-10 4.78E-10 9.32



Al3+ + 2H2O = Al(OH)2+ + 2H+ KAl_2 10.45 3.57E-11 4.62E-11 10.34

HCO3- = CO3= + H+ KCO2_2 10.38 4.21E-11 5.45E-11 10.26



H2O2 = HO2- + H+ KH2O2_1 11.75 1.77E-12 1.93E-12 11.72

H2O = H+ + OH- Kw 14.16 6.84E-15 7.46E-15 14.13

Al3+ + 3H2O = Al(OH)3 + 3H+ KAl_3 17.44 3.60E-18 1.66E-18 17.78

Al3+ + 4H2O = Al(OH)4- + 4H+ KAl_4 23.19 6.38E-24 3.21E-24 23.49

ph control using co2

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