Pool Equations

March 26, 2018 | Author: Jaco Jansen Van Vuuren | Category: Sodium Carbonate, Alkalinity, Acid Dissociation Constant, Chlorine, Sodium Hydroxide
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Pool Equations spreadsheet written by Richard A. Falk ([email protected]); Last Updated 22-May-2014 Initial Goal Difference Measured pH 7.5 7.50 0.00 Total Alkalinity (ppm CaCO3) 100 100.0 0.0 Free Chlorine (ppm Cl2) 3.0 3.00 0.00 Cyanuric Acid (ppm CYA) 30 30.0 0.0 Calcium Hardness (ppm CaCO3) 300 300.0 0.0 Total Dissolved Solids (ppm) 525 525.0 0.0 Total Sulfate (ppm SO42-) 0 0.0 0.0 Total Borate (ppm Boron) Total Ammonia (ppm Nitrogen) U.S. Gallons Temperature (oF) 0.0 0.0 10,000 80 0.00 0.00 10,000 80 0.00 0.00 Total Chloride (ppm NaCl) Carbonate Alkalinity (ppm CaCO3) Langelier Saturation Index (LSI) % HOCl (vs. Total Free Chlorine) OCl- (as ppm Cl2) 350 89.9 0.00 1.8% 350.3 0.0 adjust TDS to change this nu 89.9 0.0 0.00 negative corrodes; positive scales 1.8% 0.058 0.058 HOCl (as ppm Cl2) 0.054 Calcite Saturation Level (CSL) 1.39 lcite Saturation Index (CSI) 0.14 0 1 U.S. Customa Units of Measure: 0.054 0.011 is approximately 650mV of ORP a 1.39 CSL and CSI are more accurate than regular LSI 0.14 negative corrodes; positive scales CaCO3 Precipitation Potential (CCPP) Calcium Carbonate Precipitation Potential (calcul NOTE: Amounts of acid, base and buffer in first blue column are not correct when there is a difference in Free Chlorine or C Inputs Input Equiv. ACID/BASE/BUFFER Acid to add to decrease pH also decreases alkalinity (Sodium Bisulfate and Sulfuric Acid also add sulfate) Muriatic Acid (fluid oz.) 0.0000 Muriatic Acid (cups) 0.0000 Sodium Bisulfate (oz. weight) Sodium Bisulfate (fluid oz. volume) Sodium Bisulfate (cups) Sulfuric Acid (fluid oz.) Sulfuric Acid (cups) Base to add to increase pH Soda Ash also increases alkalinity (adds carbonate); Caustic Soda and Borax increase Soda Ash (oz. weight) Soda Ash (fluid oz. volume) Soda Ash (cups) Caustic Soda (oz. weight) Caustic Soda (fluid oz. volume) Caustic Soda (cups) Borax (oz. weight) Decahydrate Borax (fluid oz. volume) Borax (cups) uffer to add to increase alkalinity also slightly increases pH Sodium Bicarbonate (oz. weight) aka Baking Soda Sodium Bicarbonate (fluid oz.) Sodium Bicarbonate (cups) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 NOTE: One cannot add acid to only decrease alkalinity without also decreasing pH. Normal outgassing of CO2 to Air increases pH with no change in alkalinity; but then adding acid restores pH with net d TA equiv. H2CO3 -> CO2(g) + H20 0.0000 0.00% ADDED CHLORINE Weight % Available Chlorine = Trade % / Specific Gravity = (Weight % NaOCl) * Cl2_ NOTE: Amounts of added chlorine in blue are equivalent; they are not added together. Adding chlorine with NaOCl increases pH and alkalinity; equation is Cl2(g) + 2NaOH --> NaOCl + H2O + NaCl --> Sodium Hypochlorite (fluid oz.) 0.0000 Sodium Hypochlorite (cups) 0.0000 Adding chlorine with Ca(OCl)2 increases pH and alkalinity and calcium hardness; equation is Ca(OCl)2 Calcium Hypochlorite (oz. weight) Calcium Hypochlorite (fluid oz.) Calcium Hypochlorite (cups) Calcium Hypochlorite (3/4" tablets) Granular Granular Tablets 0.0000 0.0000 0.0000 0.0000 Adding chlorine with Trichlor decreases pH and increases CYA; equation is Trichlor + 3H 2O --> CYA + 3HOCl + ext Trichlor (oz. weight) 0.0000 Trichlor (3" tablets) 0.0000 Adding chlorine with Dichlor slightly decreases pH and increases CYA; equation is Dichlor•2H2O + H Dichlor (oz. weight) 0.0000 Adding chlorine with generator slightly increases pH and alkalinity; Net equation is Cl + 2H20 --> H2(g) + HOCl + OH ppm Cl2 0.0000 Adding chlorine with Cl2 gas greatly decreases pH and slightly decreases alkalinity; equation is Cl2(g) + H Chlorine gas (oz. weight) 0.0000 CHLORINE USAGE Breakdown of Chlorine by Light slightly decreases pH and alkalinity; equation is 2OCl --> O2(g) + 2Cl or 2HOCl --> Net Chlorine to Breakpoint slightly decreases pH and alkalinity; net equation is 2NH3 + 3HOCl --> N Chlorine Oxidation of Organics slightly decreases pH and alkalinity; net equation (oxidation like burning) is 4HOCl + Chlorine Breakdown slightly decreases pH and alkalinity; equations are 2OCl --> ClO2 + Cl ppm Cl2 0.0000 Outgassing of Chlorine Gas to Air greatly increases pH and slightly increases alkalinity; equation is HOCl + Cl ppm Cl2 0.0000 Outgassing of HOCl to Air slightly increases pH with very slight drop in alkalinity; equation is HOCl(aq) --> HOC ppm Cl2 0.0000 Creation of Combined Chlorine increases pH; net equation is NH3 + HOCl --> NH2Cl + H2O Chlorine Disinfection increased pH; net equation is HOCl + CNH2...(organic enzyme) --> CNHCl...(chlorina ppm Cl2 0.0000 Combined Chlorine to Breakpoint greatly decreases pH and alkalinity; net equation is 2NH2Cl + HOCl --> N ppm Cl2 0.0000 Breakdown by Sodium Thiosulfate greatly changes pH and slightly changes alkalinity; thiosulfate in water is Na ppm Cl2 0.0000 ppm Cl2 0.0000 ppm Cl2 0.0000 ppm Cl2 0.0000 NON-CHLORINE SHOCK decreases pH and alkalinity and adds sulfate; equation is 3(K2SO4•KHSO Non-chlorine shock (oz. weight) Non-chlorine shock (fluid oz.) Non-chlorine shock (cups) CALCIUM HARDNESS Increasing Calcium Hardness slightly decreases pH and slightly increases alkalinity (pH decreased due to ion pairin Calcium Chloride (oz. weight) Anhydrous 0.0000 Calcium Chloride (fluid oz.) 0.0000 Calcium Chloride (cups) 0.0000 CaCl2•2H2O (oz. weight) Dihydrate 0.0000 CaCl2•2H2O (fluid oz.) 0.0000 CaCl2•2H2O (cups) 0.0000 Dissolving CaCO3 (neg. for scaling) increases pH and alkalinity; dissolving is CaCO 3(s) --> Ca2+ + CO32- ; scaling is Ca Calcium Carbonate (ppm) 2+ orrosion of Pool Plaster (cement) greatly increases pH and alkalinity; corrosion is CaO(s) + CO 2 --> Ca Calcium Carbonate (ppm) Curing of Concrete (in new pools) greatly increases pH and increases alkalinity and CH; equation is 2Ca 3SiO Calcium Hydroxide (ppm CaCO3) Bicarb Start-Up (in new pools) increases pH with no change in alkalinity or CH; equation is 2Ca 3SiO5 + 4H Calcium Hydroxide (ppm CaCO3) ardening Concrete (in new pools) increases pH with no change in alkalinity or CH; equation is Ca(OH)2 + HCO Calcium Hydroxide (ppm CaCO3) 0.00 CONDITIONER Increasing Cyanuric Acid (CYA) decreases pH with no change in alkalinity Cyanuric Acid (oz. weight) 0 0.0000 Cyanuric Acid (fluid oz.) 0.0000 Cyanuric Acid (cups) 0.0000 BORATES set type of Borates above under "Base to increase pH" Increasing Borates greatly increases pH and alkalinity Borax (oz. weight) Decahydrate 0.0000 Borax (fluid oz. volume) 0.0000 Borax (cups) 0.0000 SALT Increasing Salt very slight decrease in pH and no change to alkalinity Salt (oz. weight) 0 0.0000 Salt (fluid oz. volume) 0.0000 Salt (cups) 0.0000 Added Chlorine (ppm Cl2) Added Cyanuric Acid (ppm CYA) Added Calcium (ppm CaCO3) 0.0000 0.0000 0.0000 Added Total Dissolved Solids (ppm) Added Sulfate (ppm SO42-) 0.0000 counts everything except H 0.0000 0.0000 Added Borate (ppm Boron) Hydrogen Delta - Added Carbonate Delta - Added CONSTANTS grams / oz. oz. / lb. ml / fluid oz. fluid oz. / cup CaCO3 g/mole HOCl g/mole CYA g/mole CYA g/ml SO42- g/mole Muriatic Acid (HCl) g/mole Muriatic Acid HCl % Muriatic Acid (HCl) g/ml Sodium Bisulfate (NaHSO4) g/mole Sodium Bisulfate NaHSO4 % Sodium Bisulfate (NaHSO4) g/ml Sulfuric Acid (H2SO4) g/mole Sulfuric Acid H2SO4 % Sulfuric Acid (H2SO4) g/ml Soda Ash (Na2CO3) g/mole Soda Ash (Na2CO3) g/ml Caustic Soda (NaOH) g/mole Caustic Soda NaOH % Caustic Soda (NaOH) g/ml Sodium Bicarb. (NaHCO3) g/mole Sodium Bicarb. (NaHCO3) g/ml H2CO3 g/mole NaOCl g/mole Sodium Hypochlorite NaOCl % NaOCl g/ml Sodium Hypochlorite pH NaOCl extra base mole/fl.oz. Ca(OCl)2 g/mole Calcium Hypochlorite Ca(OCl)2 % Ca(OCl)2 g/ml Ca(OCl)2 oz./tablet Calcium Hypochlorite pH Ca(OCl)2 extra base mole/oz. Trichlor g/mole Trichlor oz./tablet Dichlor•2H2O g/mole Chlorine gas (Cl2) g/mole Non-chlorine shock g/mole Non-chlorine shock g/ml Non-chlorine shock pH 0.0000E+00 goal is 0 for calculations 0.0000E+00 goal is 0 for calculations 28.3495231 16 29.5735296 8 100.0892 52.4603 129.075 0.92 96.0631 36.46 31.45% 1.16 120.0553 93.2% 1.44 98.08 38.50% 1.25 105.9888 1.1 40 97.5% 1 84.0069 1.2 62.0251 74.4422 8.25% 1.10 11.90 4.4544E-04 142.98366 65.0% 1.025 0.247 10.7 1.6800E-02 232.4103 8 255.97766 70.906 614.77 1.3 2.3 English English English English conversion conversion conversion conversion is is is is grams / oz. ; Metric conversion is grams / gra oz. / lb. ; Metric conversion is grams / kg ml / fluid oz. ; Metric conversion is ml / ml (i. fluid oz. / cup ; Metric conversion is ml / liter Solid is 2.5 g/ml; MSDS says pH is 4.8 at saturated 2.7 g/liter, but another source says 1.097 so who knows for sure Solid is 2.435 g/ml; 1.44 measured from Spa Down Solid is 2.532 g/ml Solid is 2.13 g/ml; 1.0 is a guess at this point Solid is 2.159 g/ml Liquid chlorine (chlorinating liquid) is trade % of 12.5% or 10% wh assumed to be pH 11.9 for regular and Ultra bleach, 12.0 for 10% 12.5% solution would give 10.64 pH (with Ionic Strength) so 12.5 some sources say 73%, others say 60-80% and claim 65% (which Solid is 2.35 g/ml; actual is based on 64 lb./ft 3 7 g/tablet 1000 ppm free chlorine solution gives 9.68 (with Ionic Strength) so 1% solution is 2.8 pH from MSDS and I get 2.75 so no adjustment 1% solution is 6.8 pH from MSDS and I get 6.50 so no adjustment 1% solution gives 0.94 pH (with Ionic Strength) Potassium peroxymonosulfate (monopersulfate) is in a salt of K measured 1.38; spec. sheet says 1.2; MSDS says 1.25 8978 assumed to have an ion size of 5 Angstroms SO42.8978 299.8978 0. FALSE.154 14.3 pH (Oxone has 2% Magnesium Carbonate by 10% solution gives 9-11 pH 10% solution gives 6. FALSE.71 g/ml used for ppm conversions used for TDS calculations density of pure salt is 2.8978 0.3791 0.6888E-04 110.3295 0.3756 1 10.835 381. CaB(OH)4+ activity coefficient 0.8978 0.activity coefficient CO32.82 152.8978 0.6498 0.937)* Davies activity coefficient = 10^(-A * Charge^2 not used (except for [H+]) since measured pH m 0.8978 0.3/D A=1.6498 D=sqrt(3686*sqrt(oK)-135*(oK)) A=1. CaCl+ activity coefficient + 1.8978 0.8978 0.0154 0. parameter Debye-Hückel A parameter Debye-Hückel B parameter Davies A parameter Single charge activity coefficient Double charge activity coefficient Triple charge activity coefficient H+ activity coefficient OH.8978 0.825e6*sqrt(d)*((60954/(T+116)-68.9848 1. density of bulk salt is 1. [H]ClxCY.6498 0. Use Alt.6498 0.2 147. FALSE.8978 0. assume actual is same for now for decahydrate (10 Mule Team Borax) for decahydrate (10 Mule Team Borax).5132 0.8337 74.63 0.63 0.0067 1% solution gives 2.activity coefficient 0.6498 CaOH+.6498 0. Carbonate & Borate & H2O Use Davies instead of Debye-Hückel Use Alt.activity coefficient HCO3.5138 0. Calcium Chloride (CaCl2) pH CaCl2 extra base mole/oz.8978 0.8978 0.5 Angstroms li 0. FALSE.3295 0.activity coefficient Ca2+ activity coefficient CaHCO3 . Dependent Cl-CYA ACTIVITY COEFFICIENTS Temperature (oK) Debye-Hückel D temp.09315 58. ClCY2CYA3OClClB(OH)4- activity activity activity activity activity coefficient coefficient coefficient coefficient coefficient NH4+ activity coefficient assumed assumed assumed assumed to to to to have have have have an an an an ion ion ion ion size size size size of of of of 4 5 9 4 Angstroms Angstroms Angstroms Angstroms .6498 Not sensitive since this affects pKa(2) H ActivityCoefficient = 10^(-A * Charge^2 * Ionic 0.16 g/ml for dihydrate for dihydrate.165. solid is 2.activity coefficient 0.124836 C6H8O6 ---> C6H6O6 + 2H + 2e 1 1 1 0 0 0 0 1 1 1 0 0 0 0 <-<-<-<-<-<-<-- enter enter enter enter enter enter enter TRUE TRUE TRUE TRUE TRUE TRUE TRUE or or or or or or or FALSE.8978 0.8978 assumed to have an ion size of 3.3791 0.3791 0. Carbonate & CaCO3 K's Use Temp.835.6498 0.6498 SENSITIVE! 0.36 pH (with Ionic Strength) so 9-11 must be for anhydrous for anhydrous.82 152.8978 0. Calcium Chloride (CaCl2) g/mole Calcium Chloride (CaCl2) g/ml CaCl2•2H2O g/mole CaCl2•2H2O g/ml Na2B4O7•10H2O g/mole Na2B4O7•10H2O g/ml Boron g/mole Boric Acid B(OH)3 g/mole Calcium Hydroxide Ca(OH)2 g/mole Sodium Chloride (NaCl) g/mole Sodium Chloride (NaCl) g/ml Nitrogen g/mole Ascorbic Acid g/mole Use Ionic Strength Use Ion Pairs Use Cyanuric Acid / Chlorine Eqns. FALSE.8978 assumed to have an ion size of 5 Angstroms CYA-.8978 SENSITIVE! 0.6498 0.443 1.8978 0.5132 0. FALSE.8117 61. solid is 0. solid is 1.825e6/(D^3) B=50. this this this this this this this should should should should should should should be kept at normally b normally b be kept at be kept at be kept at be kept at 299.8978 0.Shock extra base mole/oz.8978 CYA2-.154 + 176.8978 0.7534E-02 10 7.3791 0.5138 0. 25 pK CaOH pK CaCl+ pK CaB(OH)4+ + pKsp CaCO3(s) pKsp CaSO4•2H2O(s) NOTE: All ion pairs pK are dis so pK CaCO3o = -log(aCa CYA pKa(1) CYA pKa(2) CYA pKa(3) HOCl pKa Cl3CY + H2O --> HCl2CY + HOCl HCl2CY + H2O --> H2ClCY + HOCl H2ClCY + H2O --> H3CY + HOCl 8.5 4.314472 Joule/(g-mole oKelvin) log10(exp(1))/R 0.115 VERY SENSITIVE! Sources vary from 8.235 9.491 3.000 1.523 4.000 in pure water at around 77.865 pK CaSO4o 2.06 H2CO3 pKa(1) (inc.000 1.070 Cl2CY. not activity adjusted automatically for calculations.5 but h HCl2CY --> H+ + Cl2CYHClCY.867 becomes 14.930 2.0000E+00 2.800 2.42 1.474 7.2998166667 0.793 3.380 5.07 NOTE: H3CY is the same as C NH4+ <--> NH3 + H+ 9.40 13.256 CaSO4•2H2O(s) is less soluble than CaSO 6.05856 37853.51 SENSITIVE for HOCl when CY 5.+ H2O --> HCY2.900 6.9982E-03 4.865 2.804 6.149 9.05856 moles/liter 1. the following constants are not adjusted by the a H2O pKw 13.063 1.06 to 8.+ HOCl 6. not activity assumed to measure concentration.235 init and goal from table of equilibrium constants CaO(s) + CO2(aq) --> Ca2+ + CO32- -16.233 0.115 4.93 4.9973E-03 0.0000E+00 2.2310E-05 2. not Ca assumed to measure concentration.192 7.+ HOCl 5.80 2. dissolved CO2) 6.3242E-04 2.3242E-04 2.174 10.740 13.491 CO2(aq) is a combination of dissolved CO Cl2(g) + H2O --> HOCl + H+ + Cl- 3.90 NOTE: HCY2.9982E-03 4.9164E-03 moles/liter 1. VER 11.537 init and goal from table of eq 1.is the same as C H2ClCY --> H + HClCY - 5. assumed to measure concentration. taken fro .793 9.256 6.222 a very strong thermodynamic tendency so mitig Liters 37853.296 6.900 6.192 13.222 -16.867 13.936 0.883 1.+ H+ 9.474 1.800 1.421 HClCY.8 but h 9.9973E-03 0. assumed to measure concentration.936 0.221 Wang and Margerum (1994) with factor of 2 ion B(OH)3 + H2O <--> B(OH)4.12 NOTE: Original was 9.523 5.380 5.75 NOTE: Original was 3. not activity.88 Slightly sensitive for CSI.174 VERY SENSITIVE! pK CaHCO3+ 0.063 1.4 but h 1.2998166667 dividing by 1000 will multiply dH by 1000 to con NOTE: The following equilibrium constants in the first two columns are all adjusted by the previous activity coefficients and Since Measured pH measures the activity of H+ and not the concentration.+ H2O --> HClCY.070 4.33 NOTE: Original was 5.2310E-05 2.233 2.0000E+00 0.9164E-03 SPECIES Total Alkalinity Free Chlorine Cyanuric Acid Total Calcium Total Sulfate Total Borate Total Nitrogen [Ca2+] assumed to measure concentration.--> H+ + ClCY2CO2(g) --> CO2(aq) 3.0522335612 0.883 10.932 0.421 4.+ HOCl 4. not activity assumed to measure concentration. R=8.149 init and goal from table of equilibrium constants + 8.0522335612 o Temperature ( K) / 1000 0.932 Slightly sensitive pK CaCO3o 2.804 11. not activity.221 3.0000E+00 0.930 4. not activity assumed to measure concentration.EQUILIBRIUM CONSTANTS pK=-log10(exp(-(dH-TdS)/RT))=(log10(exp(1))/R)*(dH/T-dS).296 H2CO3 pKa(2) 10.50 7.0000E+00 0.0000E+00 0.740 11.+ H2O --> H2CY.62 NOTE: H2CY is the same as C ClCY2. 5221E-08 [H+]=(10^(-pH))/(activity coefficient of H 4.25) 2o 0.1 9.0000E+00 [CaSO4 ]/[Ca ][SO4 ]=10^(+2.92) 2.8343E-05 [HClCY ][H ]/[H2ClCY]=10^(-5.42) + 2+ 0.5 1.0814E-07 [CaOH+]/[Ca2+][OH-]=10^(+2.0000E+00 [CaB(OH)4 ]/[Ca ][B(OH)4 ]=10^(+1.5876E-07 7.5288E-03 Total Hydrogen=[H ]-[OH ]+2[H2CO 5.7969E-03 [HCO3-] 1.8937E-03 assumed to be equal to total carbonate (borates [Cl-] from CaCl2 5.40) 1.6039E-04 9.8273E-06 [CaSO4o] 0.4057E-21 8.22) + 2. Cl-) Total Dissolved Solids from above Ionic Strength from above Additional TDS for Ionic Strength TDS from ions only (no neutrals) Total Ionic Strength Assumed Ionic Strength for pKa (Actual .3067E-02 assumed to be twice total calcium Total charge must be neutral.9947E-03 -1.7969E-03 Carbonate Alkalinity+a(H )=[HCO + 21.(Car 0.0000E+00 [B(OH)4-] 0.6698E-07 Error in Free Chlorine [OCl-] -6.0000E+00 [NH3][H ]/[NH4 ]=10^(-9.2922E-07 [CYA] [CYA-] [CYA2-] [CYA3-] [Cl3CY] [HCl2CY] [H2ClCY] 3.0000E+00 Total Hydrogen 2.0000E+00 515.0854E-02 6.1856E-15 1.Assumed)/Actual Total Dissolved Solids (moles/liter) 0. if negative.d(Total Calcium)/d[Ca2-] 1.0259E-05 [H2CO3]/pCO2(g) = 10^-1.251) 10.8981E-10 [H2ClCY][HOCl]/[HCl2CY]=10^(-2.1 Minimum Total Alkalinity = Total Alkalinity .or extra cations are half the sum of ion concentrations times the squ additional TDS is assumed to be ([Na neutrals are not measured in conductivity tests this is set to 0 when "Use Ionic Strength" is FAL adjusted automatically for calculations.8756E-14 [CYA3-]/[CYA2-]=10^(pH-13.537) + 1.6747E-07 [Cl2CY ][H ]/[HCl2CY]=10^(-3.1856E-15 [HCl2CY][HOCl]/[Cl3CY]=10^(-1.7308E-03 [CO32-] 3.124) 2.8343E-05 1.6747E-07 [HClCY-] [ClCY2-] [HOCl] 3.0000E+00 0.0814E-07 2.0854E-02 1.2922E-07 [OH-]=10^(pH-pKw) 23. taken fro should be close to 0 from iterations.0278E+00 Error in Total Calcium [CaHCO3+] 3.5288E-03 Total Carbonate [Na+] from NaHCO3 1.3 1.0832E-04 [HCO3 ]+[CaHCO3 ]+2[CO3 ]+2[CaCO 1.2267E-05 1.0000E+00 [NH3] 0.0832E-04 1.8756E-14 [Cl2CY-] 9.0000E+00 1.0000E+00 Total Ammonia=[NH3]+[NH4 ] + + 0.07) + 9.3067E-02 Assumed anions (e.4615E-13 1.5) 1.0000E+00 515.0854E-02 0.0000E+00 Total Sulfate=[SO4 ]+[CaSO4 ] 3.4057E-21 Free Chlorine-[HOCl]-[OCl ]-3[Cl3CY]-2[HCl 8.8937E-03 Total Carbonate=[H2CO3]+[HCO3 ]+[CaHCO 1.3 1.3121E-05 [CaHCO3 ]/[Ca ][HCO3 ]=10^(+1.6253E-19 Total Calcium-[Ca ]-[CaCO3 ]-[CaHCO + 2+ 4.1483E-07 Carbonate Alkalinity + a(H+) [H2CO3] includes CO2(aq) normal dissolved CO2 1.0000E+00 [B(OH)4-][H+]/[B(OH)3]=10^(-9.0000E+00 [NH4+] 0.3121E-05 0.0854E-02 1.1483E-07 [OCl-]/[HOCl]=10^(pH-7.9076E-07 [CYA][HOCl]/[H2ClCY]=10^(-4.5876E-07 [ClCY2-][H+]/[HClCY-]=10^(-9. cation assumes extra anions are Cl.0000E+00 3.4) 7.2339E-09 1.6661E-06 10.6698E-07 adjusted automatically for calculations.3440E-04 527. taken fro -6.0854E-02 0.374) and Total S 1.6661E-06 [CO3 ]/[HCO3 ]=10^(pH-10.8937E-03 1.6253E-19 [CaCO3o] 7.3440E-04 527.4615E-13 1.g.6039E-04 [CYA-]/[CYA]=10^(pH-6.9882E-05 [CaOH+] [CaCl+] [CaB(OH)4+] [SO42-] [H+] [OH-] 4.0000E+00 Total Borate=[B(OH)3]+[B(OH)4 ]+[CaB(OH) Minimum Total Alkalinity (ppm) [B(OH)3] 0.239) o 2+ 20.367) 23.80) 1.8) + 3.9947E-03 -1.119) o 2+ 27. must use ra .5 1.7308E-03 [HCO3 ]/[H2CO3]=10^(pH-6.2267E-05 Total CYA=[CYA]+[CYA ]+[CYA ]+[CYA 1.9882E-05 [CaCl+]/[Ca2+][Cl-]=10^(+0.0278E+00 2+ o 3.47 and pCO 1.22) + 0.8981E-10 2.9076E-07 1.0259E-05 1.0854E-02 6.5221E-08 4.88) 9.5) 9.8937E-03 1.2339E-09 [CYA2-]/[CYA-]=10^(pH-11.8273E-06 [CaCO3 ]/[Ca ][CO3 ]=10^(+3. 093 M/atm (other sou 1.4x10^-4 for OCl 8x10^-5 for HOCl and 5.1065E-12 2.03 5:45 0.4160E-13 Note that equilibrium pCl2(g) is in part-per-trillio 2.0000 139. extra anions (if any).8931 Ksp of Ca3((PO4)2 is 1x10^(-26) or 2.5448 Total Chloride [Cl-] d(Total Chloride)/d[Cl-] Error in Total Chloride Outgassing Cl2(g) Rate (M/l-sec) Equilibrium Dissolved Cl2(aq) Equilibrium pCl2(g) 6.2972E-09 2.0013 M/atm and 21% + 272 O2(g) + 4H + 4e --> 2H2O EO=+1.5 1.7117E-12 Henry's Law Constant = 0.6547E-04 Henry's Law Constant = 0.6821114644 0.0007E+00 -2.5448 Based on The Practical Salinity Scale of 1978 wh 6.9992 Total Hydrogen Total Carbonate Hydrogen Delta Carbonate Delta (moles) (moles) (moles) (moles) 0.2e7*[HCY2- . 650 mV is NSPI minimum.229V + 1151 HOCl + H + 2e --> Cl + H2O EO 0.7117E-12 1.5411E-19 Equilibrium pHOCl(g) Equilibrium Dissolved O2(aq) 5.0000 Half-life of HOCl by sunlight (h:mm) FC usage by sunlight (ppm/hr.0000E+00 Theoretical ORP (mV) HSO5Maximum Copper ppm (carbonate) Maximum Copper ppm (hydroxide) Dissolved Inorganic Carbon (DIC) Conductivity (mS/cm) [Ca2+][SO42-]/Ksp Max.9992 0.6821114644 0.0000 Ksp of CaSO4•2H2O is 4.2972E-09 Henry's Law Constant = 660 M/atm 2.01 1595:17 0.17*[HClCY ]-7.to HOCl (sec) Half-life of ClCY2.1129 0. taken fro 1.4x10^-4 for OCl-.23 Rate = 2. Acid) 0.646 > 1460 650 mV is NSPI minimum.0245E-03 5.62 Rate = 0.03 5:45 0.9947E-03 1. extr 5. based 3.6547E-04 Theoretical ORP (mV) O2(aq) 272 Theoretical ORP (mV) HOCl [HSO5-] assumed equal to [HSO4-] 1151 0.01 1595:17 0. TotHydDelta=TotCarbDel TAdelta using TotCarbDelta Borate error from overshoot A/B/TA Borate error from overshoot A/B/Buf ADDITIONAL INDICIES Approximate Chemtrol ORP (mV) Approximate Oakton ORP (mV) Approximate Aquarius ORP (mV) Approximate Sensorex ORP (mV) [H2CO3] (actual-normal)/normal 0. Half-life Outgas Cl2(g) (h:mm) FC outgas as Cl2(g) (ppm/day) 697 657 589 437 9.7210224615 71.0007E+00 -2.7210224615 H in H2O and non-acids not counted.Salinity 0.0000 when only TA changes.361 10.4160E-13 2.4267 Note: this does not take into account the format 0.4267 0. proportional to kinetic rate this calculation is mo this calculation is mo this calculation is mo this calculation is mo of outgassing of CO need to check with Wojtowicz since this formula physical outgas rate is lower than this maximum 8x10^-5 for HOCl and 5.6 4.646 > 1460 Half-life of HClCY.6 4.0 1.(days) 697 657 589 437 9.23 Average Pool Depth (feet) Turnover Rate TA outgassing loss (ppm/day) Min.0000 when only TA changes TAdelta=CarbAlkDelta=To 0.to HOCl (sec) 3.93x10^(-5) 139.0000 (TotHydDelta/TotCarbDelta)*CarbDelta > HydDe TAdelta using TotHydDelta 0.5 1.Added" equal 0 fo Net Base (vs.361 10.0000 0.1129 in mg Carbon/liter (ppm) counting all carbonate 0.Added" or "Carbonate Delta . Phosphate ppm (Ca3(PO4)2) #N/A 2.4e4*[H2ClY 0.0000 The following are used to adjust Total Alkalinity to make "Hydrogen Delta .0076 Note: this does not take into account the format 22.72*[ClCY2-]-2. 650 mV is NSPI minimum.0000E+00 from non-chlorine shock + #N/A HSO5 + 2H + 2e --> HSO4 + H2 2.62 0. rate thermal breakdown from oxidation of chlorinated Rate = 1.8931 95.) Breakdown of Cl-CYA (%/day) Half-life breakdown of OCl.07x10^(-3 95. 650 mV is NSPI minimum.0245E-03 sum of Cl from CaCl2. H 71.5411E-19 Total Chloride-[Cl-]-[CaCl+] + 5.0000 0.0 1.1065E-12 H + Cl + HOCl <--> Cl2(aq) + H2 2.0076 22.9947E-03 adjusted automatically for calculations.555x10^(-8)*[OCl-]^2 at 77ºF. 23 9.Rate of HClCY. ß = ln(10)*([OH 0. ß = ln(10)*([OH #DIV/0! #DIV/0! in millimoles/pH. ß = ln(10)*([OH 0. same -20.9988E-03 68:25 Rate of NH2Cl to NHCl2 (ppm N / hr) 0.to HOCl (ppm/sec) Rate of ClCY2. ß = ln(10)*([OH in in in in millimoles/pH. (fluid ounces) H2CO3/HCO3.0011 0. ß = ln(10)*([OH 0.15 8.2358 in millimoles/pH.Buffer Capacity B(OH)3/B(OH)4.4e4*[H2ClY 0.2358 0.3 + (A + B) . millimoles/pH. millimoles/pH.72*[ClCY2-]-2.0x10^5*(e^(-2010/T(K)))*[NH 0.09 0. NH 2NH3 + 3HOCl --> N2(g) + 3H2O + 3H 2NH2Cl + HOCl --> N2(g) + 3H+ + 3Cl Freezing point depression (ºF) Calcium Sulfate Saturation Level Ryznar Stability Index (RSI) Puckorius Scaling Index (PSI) Reversed PSI log10([Ca2+][CO32-]/[CO2(aq)]/K) Ascorbic Acid Equivalent (ounces) Muriatic Acid Equiv.00 Rate = (kH[H ] + 4e4[H2CO3] + 800[HCO Final Breakpoint rate (ppm N / hr) 0.1x10^(-12)=[NH3][HOCl]/[NH Rate = 3.00 Rate = 2.Buffer Capacity HCl2CY/Cl2CY.41 0. NH3Cl+ + NH 2.6495E-06 37:14 0.Buffer Capacity HCO3-/CO32.Buffer Capacity -0. ß ß ß ß = = = = ln(10)*([OH ln(10)*([OH ln(10)*([OH ln(10)*([OH Langelier Saturation Index is pH-pHs where pHs = 9.50 7.2e7*[HCY2Rate = 6.00 7.9988E-03 K=2.95 5.0011 0.0011 0.0017 0.00 7.19 -0.0*[NH2Cl][NHCl2] M/hr .15 8. < 6 sc does not appear to be particularly useful.95 5.Buffer Capacity HOCl/OCl.00 Rate = 55.50 7.465*log10(Carbonate Alkalinity) + 4.0020 in millimoles/pH.52 0.0629 0.4 D = log(adjusted alkalinity as CaCO3) derived from pHs = (pK2 .0011 0.to HOCl (ppm/sec) Half-life of NH3 to NH2Cl (sec) [NH3]/[NH2Cl] Half-life of NH2Cl to NHCl2 (m:ss) Rate = 0.52 0.12*log(ºC + 273)+34.Buffer Capacity CYA/CYACYA-/CYA2CYA2-/CYA3H2ClY/HClCY- Buffer Buffer Buffer Buffer Capacity Capacity Capacity Capacity HClCY-/ClCY2.6x10^8*(e^(-1510/T(K)))*[NH K=5.0095 0.86 C/m (m = mo should be < 1 or else CaSO4 may precipitate as does not appear to be particularly useful.0017 in millimoles/pH.(C + D) A = (log(TDS)-1)/10 B = -13.54 DERIVATION OF IMPROVED LSI LSI=log(acCa2+[Ca2+]acCO32-[CO32-]/Ksp)=log([Ca2+])+log([CO32-])-log(Ksp)+log(acCa2+)+log(acCO32-) [Ca2+]=Hardness-[CaHCO3+]-[CaCO3o]-[CaSO4o]-[CaOH+] .17*[HClCY-]-7.3x10^(-9)=[NH2Cl][HOCl]/[NHCl 68:25 Rate = 3.00 NH2Cl + H+ --> NH3Cl+ .19 Freezing point depression = -1.09 0.0014 in millimoles/pH.pKs) + pCa + pAlk where pK2 is the second dissociation constant of H2CO3 and pKs is the solubility product constant for CaCO3 Ryzner Saturation Index is 2(pHs)-pH so ideal LSI=(pH-6. same does not appear to be particularly useful.0011 0. ß = ln(10)*([OH 0. millimoles/pH.0629 0.21 6.0095 0.21 0.21 0.0011 in millimoles/pH.21 6.41 -20.6495E-06 37:14 [NH2Cl]/[NHCl2] Half-life of NHCl2 to NCl3 (h:mm) 2.5)/2 instead of 0 Puckorius Scaling Index is 2(pHs)-pHeq where pHeq=1.55 C = log(Ca2+ as CaCO3)-0.0014 0.0020 0.23 the binding of calcium oxide to silicon dioxide in 9.0x10^5*(e^(-3420/T(K)))*[NHCl + 0. 09*1000/2)*((ppm CYA)/(129.109*(ppm CalHard)+1.4895678006 0.09-ppm CYA. then LSI=pH+pKsp-pK2+log(Hardness)+log(CarbAlk)+log(acCa2+)+log(acHCO3-) The inaccuracy comes in not reducing Hardness by calcium ion pairs and by not reducing CarbAlk by 2[CO32-] and carbonate ion pairs These reductions would result in a smaller LSI.4895678006 0.5/( oC+273. approximately.5*(ppm Hardness)+(ppm CarbAlk))/50045+(ppm CYA)/(129075*(1+10^(6. but if <0 then use 0 So.5*(ppm CalHard)+(ppm TotAlk))/50045+(extra NaCl ppm)/58440 extra NaCl ppm=(Total TDS)-(1.15)/R = log10(exp(1))*(H/R)*(1/T .15 log10(exp(1))*(H/R)=0.4*B*sqrt(I)) I=(4*[Ca2+]+[HCO3-]+[CYA-]+4*[CYA2-]+9*[CYA3-]+4*[CO32-]+[CaHCO3+]+[CaOH+]+[OH-]+[H+]+4*[SO42-]+[Na The most important ionic species are Ca2+. I=3*(ppm Hardness)/(100.0522773897 error is mostly due to not accounting for ion pai .[CO32-]=(acHCO3-)[HCO3-]K2/((acH+)[H+](acCO32-)) measured pH = -log((acH+)[H+]) LSI=pH+pKsp-pK2+log([Ca2+])+log([HCO3-])+log(acCa2+)+log(acHCO3-) [HCO3-]=CarbAlk-2[CO32-]-[CaHCO3+]-2[CaCO3o] [CaHCO3+]=(acCa2+)[Ca2+](acHCO3-)[HCO3-]/((acCaHCO3+)K(CaHCO3+)) [CaCO3o]=(acCa2+)[Ca2+](acCO32-)[CO32-]/K(CaCO3o) [CaCO3o]=(acCa2+)[Ca2+](acHCO3-)[HCO3-]K2/((acH+)[H+]K(CaCO3o)) [HCO3-]=CarbAlk-2*(acHCO3-)[HCO3-]K2/((acH+)[H+](acCO32-))-(acCa2+)[Ca2+](acHCO3-)[HCO3-]/((acCaHCO3+)K(CaHCO [HCO3-]=CarbAlk/(1+2*(acHCO3-)K2/((10^-pH)*(acCO32-))+(acCa2+)[Ca2+](acHCO3-)*((1/((acCaHCO [CaSO4o]=(acCa2+)[Ca2+](acSO42-)[SO42-]/K(CaSO4o) [CaOH-]=(acCa2+)[Ca2+](acOH-)[OH-]/K(CaOH-) [Ca2+]=Hardness-(acCa2+)[Ca2+](acHCO3-)[HCO3-]/(acCaHCO3+)K(CaHCO3+))-(acCa2+)[Ca2+](acHCO3-)[HCO3-]K [Ca2+]=Hardness/(1+(acCa2+)(acHCO3-)[HCO3-]*(1/((acCaHCO3+)K(CaHCO3+))+K2/((10^-pH)*K(CaCO ignore ion pairs and assume [CO32-] << CarbAlk.15 oK = 77 LSI=pH+8.35-10.63*(ppm Borates)/(1+10^(9.15)+4 I=(1.09*1000/2)+((ppm CYA)/(129.98*(ppm Hardness)+2*84.08*1000))/(1+10^(6.08*1000))/( I=(1. CYA-.677+log(ppm CalHard)+log(ppm CarbAlk)-2.09*1000)+log(ppm CarbAlk)-log(100.which are normally added from CaCl2. The temperature dependence of pKsp and pK2 can be computed from the following: pK = -log K = log10(exp(1))*(H/T-S)/R so the difference with temperature is log10(exp(1))*(H/(298.09*1000/2)*((ppm extra NaCl ppm=(Total TDS)-(110. Na+ and Cl.83-pH))-4.0111696018 0.417172245 10.1.38772*(ppm CYA)/(1+10^(6.5 log(acCa2+)=-A*4*sqrt(I)/(1+5*B*sqrt(I)) log(acHCO3-)=-A*sqrt(I)/(1+5.327+log(ppm Hardness)-log(100.417172245 10.65*sqrt(I))-1412.5117*5*sqrt(I)/(1 LSI=pH-11.0522773897 90. HCO3-.7))*1000=-1412.83-pH))-(100. but if <0 then use 0 or extra NaCl ppm = Salt .09*1000/2)-0.(or assuming it is 1) and realizing that [TotCYA]=[CYA]+[CYA-]+[CYA2-]+[CYA3-] and ignoring [CYA [CYA-]=([TotCYA]*10^(-pKcya1)/10^(-pH))/(1+10^(-pKcya1)/10^(-pH))=[TotCYA]/(1+10^(pKcya1-pH)) This is also useful for the approximation to calculate [CarbAlk]=[TotAlk]-[CYA-] (ppm CarbAlk)=(ppm TotAlk)-(100.56*sqrt(I)/(1+1.1/298.3428)-(14.09*1000)+(ppm CarbAlk)/(100.0111696018 0. NaHCO Assume [Cl-]=2*[Ca2+] and [Na+]=[HCO3-]+[CYA-] (NaOH added to compensate for CYA acid that dissociated) I=(4*[Ca2+]+[HCO3-]+[CYA-]+2*[Ca2+]+[HCO3-]+[CYA-])/2+[extra NaCl]=3*[Ca2+]+[HCO3-]+[CYA-]+[extra NaCl] [CYA-]=[CYA]*10^(-pKcya1)/((acCYA-)(acH+)[H+]) ignoring acCYA.168*(ppm CalHard) ppm CarbAlk=(ppm TotAlk)-0.052234*((-12.15+dT)-H/298.01*(ppm CarbAlk))/100.679*(ppm CarbAlk)+(ppm CYA)).83-pH)))+(ppm Borates)/(10810))/(1+1 If we ignore the temperature effects on the Debye-Huckel parameters A and B then we have (at 298.11-pH)) ppm CarbAlk extra NaCl ppm I LSI 90. 6457E+06 1. We can restate the above formulas into the following to simplify the writing of our equations.8382E+01 -1.0728333086 error is due to not accounting for ion pairs and a Isocyanurates and Chlorine Derivation Total CYA=[CYA]+[CYA-]+[CYA2-]+[CYA3-]+[Cl3CY]+[HCl2CY]+[H2ClCY]+[Cl2CY-]+[HClCY-]+[ClCY2-] Free Chlorine=[HOCl]+[OCl-]+3[Cl3CY]+2[HCl2CY]+[H2ClCY]+2[Cl2CY-]+[HClCY-]+[ClCY2-] We can put everything in the above two equations in terms of [CYA] and [HOCl] as follows: Total CYA = [CYA]*(1+10^(pH-CYA_pKa1)*(1+10^(pH-CYA_pKa2)*(1+10^(pH-CYA_pKa3))))+ [CYA]([HOCl]^3)*10^(Cl3CY_pK+HCl2CY_pK+H2ClCY_pK)+ [CYA]([HOCl]^2)*10^(HCl2CY_pK+H2ClCY_pK)*(1+10^(pH-HCl2CY_pKa))+ [CYA][HOCl]*10^(H2ClCY_pK)*(1+10^(pH-H2ClCY_pKa)*(1+10^(pH-HClCY_pKa))) Free Chlorine = [HOCl]*(1+10^(pH-HOCl_pKa))+ 3*[CYA]([HOCl]^3)*10^(Cl3CY_pK+HCl2CY_pK+H2ClCY_pK)+ 2*[CYA]([HOCl]^2)*10^(HCl2CY_pK+H2ClCY_pK)*(1+10^(pH-HCl2CY_pKa))+ [CYA][HOCl]*10^(H2ClCY_pK)*(1+10^(pH-H2ClCY_pKa)*(1+10^(pH-HClCY_pKa))) We now have two equations in two unknowns but whereas [CYA] is linear.2031E+00 1.0089835729 0. Total CYA actual = [CYA]*f([HOCl]) [CYA]= (Total CYA actual)/f([HOCl]) With the above equation for [CYA] in terms of [HOCl]. I using only TDS LSI 0. So the easiest approach is to solve for [CYA] in terms of [HOCl] and then determine an error term to iterate [HOCl].7239E+06 2.3240E-22 7. this will make the calculated Total CYA equal the actual Total CYA sin This means that Free Chlorine and [HOCl] will be incorrect and we can determine an error term and iterate as follows.2622E+00 1.3240E-22 We can approximate as follows.2622E+00 1. ignoring Cl3CY species: a = 1+10^(pH-CYA_pKa1)*(1+10^(pH-CYA_pKa2)*(1+10^(pH-CYA_pKa3))) b = 10^(HCl2CY_pK+H2ClCY_pK)*(1+10^(pH-HCl2CY_pKa)) c = 10^(H2ClCY_pK)*(1+10^(pH-H2ClCY_pKa)*(1+10^(pH-HClCY_pKa))) d = 1+10^(pH-HOCl_pKa) So.0089835729 0.8382E+01 -1. with very good accuracy.approx. Free Chlorine calculated = h([HOCl])+[CYA]*g([HOCl]) d(Free Chlorine calculated)/d[HOCl] = d(h([HOCl]))/d[HOCl]+(d[CYA]/d[HOCl])*g([HOCl]) + [CYA]*d(g([HOCl]))/d[HOCl] d[CYA]/d[HOCl] = -(Total CYA actual)*(d(f([HOCl]))/d[HOCl])/(f([HOCl]))^2 d(f([HOCl]))/d[HOCl] = 3*[HOCl]^2*10^(Cl3CY_pK+HCl2CY_pK+H2ClCY_pK)+ 2*[HOCl]*10^(HCl2CY_pK+H2ClCY_pK)*(1+10^(pH-HCl2CY_pKa))+ 10^(H2ClCY_pK)*(1+10^(pH-H2ClCY_pKa)*(1+10^(pH-HClCY_pKa))) d(g([HOCl]))/d[HOCl] = 9*[HOCl]^2*10^(Cl3CY_pK+HCl2CY_pK+H2ClCY_pK)+ 4*[HOCl]*10^(HCl2CY_pK+H2ClCY_pK)*(1+10^(pH-HCl2CY_pKa))+ 10^(H2ClCY_pK)*(1+10^(pH-H2ClCY_pKa)*(1+10^(pH-HClCY_pKa))) d(h([HOCl]))/d[HOCl] = 1+10^(pH-HOCl_pKa) d(Free Chlorine calculated)/d[HOCl] = d(h([HOCl]))/d[HOCl]-g([HOCl])*(Total CYA actual)*(d(f([HOCl]))/d[HOCl])/(f([HOC f([HOCl]) d(f([HOCl]))/d[HOCl] g([HOCl]) d(g([HOCl]))/d[HOCl] d(h([HOCl]))/d[HOCl]) d(Free Chlorine calculated)/d[HOCl] d[HOCl] 7.0624E+00 4.0624E+00 4.7239E+06 2. [HOCl] is not.6457E+06 1. Total CYA = a*[CYA]+b*[CYA]*([HOCl]^2)+c*[CYA]*[HOCl] Free Chlorine = d*[HOCl]+2*b*[CYA]*([HOCl]^2)+c*[CYA]*[HOCl] 2*(Total CYA)-(Free Chlorine) = 2*a*[CYA]+c*[CYA]*[HOCl]-d*[HOCl] [CYA] = (Total CYA)/(a+b*[HOCl]^2+c*[HOCl]) (Total CYA)-(Free Chlorine) = a*[CYA]-b*[CYA]*([HOCl]^2)-d*[HOCl] .0728333086 0.2031E+00 1. an approximate formula for computing the (ppm HOCl) at a pH of 7.4.and HCl2CY) and "d" (for OCl.727297541 One-Pass Corrected ppm HOCl 0.0338686583 B 3.0624E+00 A 5. either [CYA] equation into the other equations results in a cubic equation.8203678109 C/A 1.2267E-05 0.0423514621 A simpler formula is dervied approximating [CYA] as ((Total CYA)-(Free Chlorine))/a to get a formula (keeping the error ter [HOCl] = (Free Chlorine-2*b*[CYA]*([HOCl])^2)/(c*[CYA]+d) [CYA] = ((Total CYA)-(Free Chlorine)+d*[HOCl])/(a-b*([HOCl])^2) Setting "b" (for Cl2CY.1) but an even better formula adds an extra error term of "3" to get: (ppm HOCl) = (ppm Free Chlorine)/(2.1547812878 Err2 0.8203678109 1.2310E-05 ppm HOCl 0.and HCl2CY species ("b" parameter is 0).9709E+00 b 5. at 3x or (HOCl as ppm Cl2) = (ppm Free Chlorine)/(2. If we ignore the Cl2CY.1971E+01 5.0980E+10 c 1.1971E+01 C -4.4916738335 B/A 1.0623834338 ppm HOCl 0. the values of these "constants" are as follows: a 5.2310E-05 -4. ppm HOCl 0.6692907357 0.0420757363 0.9*(ppm Free Chlorine) + 5) approx.82*(ppm Free Chlorine) + 1.7*(ppm Total CYA) .0577241936 1/A 0.4142E+05 5.0627004989 0.7023890373 C 2.4916738335 1.5675E+06 1.7*(ppm Total CYA) + 5)/(4.5 when CYA >> Chlorine (by 5x or more.7*(ppm Total CYA) .0624E+00 2. but not as constant) to 0 gives us: [HOCl] = (Free Chlorine)/((c/a)*((Total CYA)-(Free Chlorine))+d) Converting our formula to ppm we get: (HOCl as ppm Cl2) = (1000*Cl2_g_mole)*((ppm Free Chlorine/(1000*Cl2_g_mole)))/((c/a)*((Total CYA)/(1000*CYA_g_mo (HOCl as ppm Cl2) = ((ppm Free Chlorine))/((c/a)*((Total CYA)/(1000*CYA_g_mole)-(Free Chlorine)/(1000*Cl (HOCl as ppm Cl2) = (ppm Free Chlorine-Err1)/(A*(ppm Total CYA)-B*(ppm Free Chlorine)+C+Err2) A 2.9*(ppm Free Chlorine) + 2.and HOCl in CYA calculation.2303940E-005 Err1 0.0624E+00 0.[CYA] = ((Total CYA)-(Free Chlorine)+d*[HOCl])/(a-b*([HOCl])^2) Unfortunately.9348E-05 initial computed [CYA] 3.4.0980E+10 5.5675E+06 d 2.0420757363 (ppm Free Chlorine) = (2.85) which is closer to the approximation that HOCl is proportional to the ratio of FC to CYA .0539904312 Using "3" for denominator error term 0.0543834106 actual [CYA] actual Err1 actual Err2 using actual errors So.7023890373 2. then we get the simpler equations: Total CYA = a*[CYA]+c*[CYA]*[HOCl] Free Chlorine = d*[HOCl]+c*[CYA]*[HOCl] (Total CYA)-(Free Chlorine) = a*[CYA]-d*[HOCl] [CYA] = ((Total CYA)-(Free Chlorine)+d*[HOCl])/a Free Chlorine = d*[HOCl]+(c/a)*((Total CYA)-(Free Chlorine))*[HOCl]+(c*d/a)*[HOCl]^2 at the current conditions.014019969 2.014019969 recalculated [CYA] 3.9 + 1/(ppm HOCl)) or alternatively the formula can be described as follows: (ppm HOCl) = 0.1372264386 0.4142E+05 B 5.1.0423514621 0.054573956 2.9709E+00 5.37*(ppm Free Chlorine)/((ppm Total CYA) .0338686583 3. 1 total (0. d also add sulfate) Muriatic Acid (liquid) 15% Hydrochloric Acid 2 Muriatic Acid (liquid) 31. Customary nits of Measure: U. Customary Units of Measure: Metric just TDS to change this number (e. positive scales ecipitation Potential (calculated for Goal only) erence in Free Chlorine or CYA unless "Calculate" is done. if salt is measured) sitive scales ately 650mV of ORP and is the minimum for sanitation.S.2% Sulfuric Acid (liquid) 38.05 HOCl?) kills most marine plankton (so po e accurate than regular LSI .g.5% ic Soda and Borax increase alkalinity less 3 0 Soda Ash / Washing Soda / Sodium Carbonate 20 Mule Team Borax (Sodium Tetraborate Decahydrate) 1 Caustic Soda / Lye / Sodium Hydroxide 20 Mule Team Borax (Sodium Tetraborate Decahydrate) Sodium Tetraborate Pentahydrate Disodium Octaborate Tetrahydrate (DOT) Boric Acid (not used for pH adjustment) 1 box of 20 Mule Team Borax is 76 ounces .S.45% Hydrochloric Acid Muriatic Acid (liquid) 31.45% Hydrochloric Acid Sodium Bisulfate (solid crystals) 93.22-May-2014 1 NOTE: a salt pool typically requires 2500-3500 ppm salt (close to total TDS) 1 Units of Measure: U. 0. + Cl.+ 5H2O .--> Cl2(g) + OH- uation is HOCl(aq) --> HOCl(g) yme) --> CNHCl.+ extra base (NaOH) Inexpensive No-Brand Bleach (5.+ H2O (also some 2NHCl2 + H2O --> N2(g) + 3H+ + 3Cl.+ extra acid (H 8-ounce (3") tablet 2 H20 --> H2(g) + HOCl + OH- ation is Cl2(g) + H2O --> HOCl + H+ + Cl- O2(g) + 2Cl.25% weight NaOCl) Chlorinating Liquid (10% trade) n is Ca(OCl)2 + 2H2O --> Ca2+ + 2HOCl + 2OH. CaNbOcHd + (2*a+d/2-c)HOCl --> aCO2 + (b/2)N2(g) + (d/2)H > ClO2.25% weight NaOCl) 0.+ 3H2O or 4NH3 + 7HOCl --> N2(g) + N2O(g) + 7H+ + 7Cl.0000 U. gallons New Clorox Regular Bleach (8.25%Old weight NaOCl) 0.00 pounds CO2 = (Weight % NaOCl) * Cl2_g_mole / NaOCl_g_mole > NaOCl + H2O + NaCl --> 2Na + + HOCl + OH..--> ClO3.and OCl.+ 6H2O or 2CH3NH2 + HOCl --> N n like burning) is 4HOCl + CH 4 --> CO2(g) + 2H2O + 4H+ + 4Cl.0000 pounds 3 Clorox Regular Bleach (6.0% weight NaOCl) New Clorox Regular Bleach (8.5% trade) Cal-Hypo 65%2 Cal-Hypo 48% Cal-Hypo 65% Cal-Hypo 73% tablets are 7 grams (about 1/4 ounce) O --> CYA + 3HOCl + extra acid (H+ + Cl-) 1/4-ounce (1/2") tablet 1/2-ounce (1") tablet 5 6-ounce (3") tablet 8-ounce (3") tablet 7-ounce (3") tablet or•2H2O + H2O --> CYA + 2HOCl + Na+ + OH.S.+ Cl- tion is HOCl + Cl.+ ClO2.+ Cl.+ HOCl) NOTE: Use "Net Chlorine to Breakpoint" above when starting with added chlolrine ate in water is Na 2S2O3•5H2O --> 2Na+ + S2O32.(chlorinated and disabled organic enzyme) + H 2O NOTE: Use "Net Chlorine to Breakpoint" above for full using up of chlorine l + HOCl --> N2(g) + 3H+ + 3Cl..acid restores pH with net drop in alkalinity includes H2CO3 carbonate that is not counted in Total Alkalinity percent of total carbonate outgassed 0.+ extra base (Na+ + OH-) Chlorinating Liquid (12..or 2HOCl --> O2(g) + 2H+ + 2Cl- + 3HOCl --> N2(g) + 3H+ + 3Cl. --> CaCO3(s) NOTE: If positive.+ S + H+ + Cl.--> 3CaO•2SiO2•4H2O + 3CaCO3(s) + 3OH- s Ca(OH)2 + HCO3.00 lb.+ 2N2(g) + 6H2O questionable K2SO4•KHSO4•2KHSO5 + 4NH2Cl --> 5K+ + 7H+ + 4SO42.46/7.+ 3S + SO2 + H2O + 2Cl.23/3.+ OH.+ 2HOCl --> 2SO42.25 theory) (K2SO4•KHSO4•2KHSO5) + 4NH3 --> 15K+ + 9H+ + 12SO42..56/0.+ HOCl --> S4O62. Salt . this adds to Calcium.+ 6H+ + 4Cl.decreases pH and slightly decreases alkalinity (2. assuming: S2O32.greatly decreases pH and decreases alkalinity (0. CaCO3 0.--> 5K+ + H+ + 4SO42.+ 4HOCl + H2O --> 2SO42.34/5.increases pH (3.50 theory. but effectively removes hydrogen since CO 2 + H2O --> H2CO3 NOTE: If positive. no change in carbonate.+ 2HOBr for Bromine-sanitized pool/spa Ammonia (ppm Nitrogen) handled by non-chlorine shock decreased due to ion pairing of CaHCO 3+) + Peladow is 90% Calcium Chloride Anhydrous Dowflake is 96% Calcium Chloride Dihydrate + CO32. scaling is Ca2+ + CO32.00 lb.+ Cl.+ 2N2(g) + 2H2O + 4Cland slowly K2SO4•KHSO4•2KHSO5 + 2Cl.+ HOCl --> SO42.. this adds to Calcium and Carbonate.875 theor assuming: S2O32.assuming: 2S2O32.23 p assuming: 3S2O32.+ 2HOCl and definitely K2SO4•KHSO4•2KHSO5 + 2Br. if negative. if negative.greatly increases pH and slightly increases alkalinity (4.00 theory. Borax 0. 2. this subtracts CO 2 --> Ca2+ + CO32.--> 5K+ + H+ + 4SO42.--> CaCO3(s) +H2O + OHlb. this subtracts tion is 2Ca3SiO5 + 7H2O --> 3CaO•2SiO2•4H2O + 3Ca2+ + 6OH- s 2Ca 3SiO5 + 4H2O + 3HCO3. 5% chlorine th Ionic Strength) so 12.components in strong acids and bases c conversion is grams / grams (i.1% Potas SDS says 1.259/614. 12. 136. but I get 4.unts everything except H+ and OH. pure would be 174.3% Potassium Sulfate.0 for 10% chlorine. 1) nversion is grams / kg ric conversion is ml / ml (i.7 must be due to additional base (another source says 5% solution gives 11.17/614. 1) tric conversion is ml / liter t saturated 2.77=22.25 .5% or 10% while bleach is weight % of 6.5 pH must be due to additional base (about 0.50 so no adjustment made for this (not sure where extra base would come from) sulfate) is in a salt of K 2SO4•KHSO4•2KHSO5.5 pH and that 4% by weigh get 2.75 so no adjustment made for this get 6.7 g/liter.5 for 12.0% (regular) or 8% (Ultra) Ultra bleach. lab sources say 90% 68 (with Ionic Strength) so 10.28. no adjustment made for this de % of 12.25% NaOH by weight) 0% and claim 65% (which is what we use since this is most common).e.e.77 = 28. 12. they are quite a bit different an be kept at FALSE.71 g/ml bulk salt is 1. not concentration. LSE. LSE. LSE.3*IonicStrength) H+]) since measured pH measures activity.5 Angstroms like OH- . this has a significant effect and even the LSI takes into account ionic strength normally be kept at TRUE.937)*T)^-1. d (density) assumed to be 1 ient = 10^(-A * Charge^2 *((IonicStrength)^(1/2)/(1+(IonicStrength)^(1/2)))-0. these are equations based on salinity and used in ocean modeling -. formulas use measured pH s affects pKa(2) H2CO3 and pKsp CaCO3 in same direction so difference is nearly constant on size of 5 Angstroms on size of 5 Angstroms on on on on size size size size of of of of 4 5 9 4 Angstroms Angstroms Angstroms Angstroms on size of 3.does not dissociate (much) Strength) so 9-11 must be due to additional base tual is same for now solid is 1. LSE. this has a minor effect unless sulfate levels are high normally be kept at TRUE. LSE. then the chlorinated isocyanurates are not calculated be kept at FALSE. compared to around 1.5.42 if no extra base HSO5. LSE. this this this this this this this should should should should should should should be kept at TRUE. setting this TRUE uses revised Wojtowicz Ksp and K2 from Plummer and Busenberg 1982 be kept at FALSE (since both HOCl and rate of pathogen growth increase with temp so its easier to ignore both effects) 10^(-A * Charge^2 * IonicStrength^(1/2) / (1 + IonSize * B * IonicStrength^(1/2))) (60954/(T+116)-68. if this is set to FALSE. Wojtowicz uses Davies but the difference is small be kept at FALSE.% Magnesium Carbonate by weight).154 LSE. / aCaCO3o) urces vary from 8. not activity y for calculations. not [H+]) ure water at around 77. because of titration concentration.21 oK) TE: All ion pairs pK are dissociation constants.06 oF (298.93-4.350 CRC only) at 77 oF s soluble than CaSO4(s) or CaSO4•1/2H2O(s) ghtly sensitive for CSI. not Ca2+ activity.12 ion of dissolved CO2 and H2CO3 with 90% (or 99.62+6. temperature le of equilibrium constants vs. because of titration concentration. because of titration concentration.33=3.is the same as CYA2- TE: Original was 5. not activity concentration.90+11. not activity. not formation or stability constants pK CaCO3o = -log(aCa2+ * aCO32.88=5.55 with 8. taken from iterations ---> .410 from CODATA and some CRC (instead of 8.5 but has been corrected using CYA pKa(1) to get 4.multiply dH by 1000 to convert kiloJoule to the same Joule scale as dS and R us activity coefficients and by temperature.62-6.07-5.VERY SENSITIVE for HOCl when CYA present. temperature dynamic tendency so mitigated by being bound to silicon dioxide in a crystal structure concentration.75 TE: Original was 9.51+5.06 to 8. not activity concentration.is the same as CYA. not activity concentration.4 but has been corrected using CYA pKa(2) to get 5.8 but has been corrected to be consistent to get 2.40=10.33 TE: Original was 3. temperature VERY SENSITIVE for HOCl when no CYA OTE: H3CY is the same as CYA NSITIVE for HOCl when CYA present. hydrolysis constant from Wojtowicz then fit to O'Brien at 7 OTE: HCY2. not activity. hydrolysis constant from Wojtowicz then fit to O'Brien at 77F OTE: H2CY. VERY SENSITIVE for HOCl when CYA present t and goal from table of equilibrium constants vs. s are not adjusted by the activity coefficient of H + (later formulas use measured pH.83%) of it as dissolved CO2 (1994) with factor of 2 ionic strength normalization le of equilibrium constants vs. 80) CY]=10^(-2.25) tivity coefficient of H+) because Measured pH measures the activity of H + and not its concentration A-]+[CYA2-]+[CYA3-]+[Cl3CY]+[HCl2CY]+[H2ClCY]+[Cl2CY-]+[HClCY-]+[ClCY2-] Y]=10^(-1.47 and pCO2(g)=0.124) (OH)4-]=10^(+1.239) ]=10^(+2. taken from iterations ---> rom iterations.119) ]=10^(+3.(Carbonate Alkalinity + a[H+]) ]+[B(OH)4-]+[CaB(OH)4+] H)3]=10^(-9. extended Debye-Hückel fails at around 0.1M (about 6400 TDS) y for calculations. Na +) are Cl.22) [OH-]+2[H2CO3]+[HCO3-]+[CaHCO3+]-[CaOH+]+3[CYA]+2[CYA-]+[CYA2-]+[HOCl]+6*[Cl3CY]+5*[HCl2CY]+4*[H2ClCY]+4[Cl O3]+[HCO3-]+[CaHCO3+]+[CO32-]+[CaCO3o] to total carbonate (borates from Borax would add sodium at half amount of borates. this is the minimum TDS with no extra salt ncentrations times the square of their charges umed to be ([Na+]+[Cl-])/2=[NaCl] with 58.000318 atm. taken from iterations ---> [OCl-]-3[Cl3CY]-2[HCl2CY]-[H2ClCY]-2[Cl2CY-]-[HClCY-]-[ClCY2-] should be close to 0 from iterations a(H+)=[HCO3-]+[CaHCO3+]+2[CO32-]+2[CaCO3o]=Total Alkalinity-[CYA-]-2[CYA2-]-3[CYA3-]-[OCl-]-[OH-]+a(H+)-[CaOH+]-[Cl 2[CO32-]+2[CaCO3o]=Carbonate Alkalinity+a(H+).92) =10^(-4. if negative.or extra cations are Na+.5) y for calculations. Note that real [CO2(aq)]/[H2CO3] = 650 so the dominant species is actually dissolved c 0^-1. cations assumed (e.443 g/mole ured in conductivity tests Use Ionic Strength" is FALSE. ity = Total Alkalinity .07) ]=10^(-5. must use ratio since both Actual and Assumed are changing . but from boric acid it would not) total calcium neutral.[CaCO3o]-[CaHCO3+]-[CaSO4o]-[CaOH+]-[CaCl+]-[CaB(OH)4+] should be close to 0 from iterations O3-]=10^(+1.374) and Total Sulfate=[SO42-]+[CaSO4o] =10^(+2.g. assumed pCl2(g) is in part-per-trillion range (6 mg/m^3) so actual outgassing rate will be slower without constant wind = 0. t(1/2) = 8. solve for TotCarbDelta s TAdelta=CarbAlkDelta=TotCarbDelta*CarbAlk/TotCarb which are are trying to make go to 0 mum. mum.0x10^(-29). which may be significant.17 2.093 M/atm (other sources have 7. extra TDS.10295 M/atm) = 660 M/atm = 0. Cl in CY counted twice since it extracts 2H from water.5 this calculation is most accurate at a pH near 7.+ H2O EO=+1. and CaCl+ ion pair y for calculations. mum. t(1/2) at 550 ppm TDS = 60 hours.6*[Cl2(aq)] and [Cl2(aq)] is assumed to be 0.30x10^-4 per second for HOCl/OCl.Added" equal 0 for the "Calculate Acid/Base/TA" function.5)/2..83x10(-30) or 1x10(-33) or 2. H+ is counted as net amount (i.al Salinity Scale of 1978 where Salinity of 35 has Ionic Strength of 0. ke into account the formation of aqueous copper carbonate and hydroxide ion pairs. TotCarbDelta is u s.229V Cl. I'm using 2. then TotHydDelta is used.83x10^(-30) ds not counted. mum.5 this calculation is most accurate at a pH near 7.5)/0. [H+]-[OH-]). without CYA. which may be significant. when this is TRUE and Base_Is_Soda_Ash is true.5 days @ 140ºF -7.4x10^-4 for OCl-.3 hours. rate this calculation is most accurate at a pH near 7. extra anions (if any). old rate of 3.0013 M/atm and 21% oxygen in air > 2H2O EO=+1. taken from iterations ---> Cl2(aq) + H2O Rate = 28000*[H+][Cl-][HOCl]-28.5 this calculation is most accurate at a pH near 7.238 m 2/W*hr and 15 W/m2 peak gives 9. Delta)*CarbDelta > HydDelta.44V ke into account the formation of aqueous copper carbonate and hydroxide ion pairs.2e7*[HCY2-][HOCl] and [HOCl] assumed to be 0 for chlorine tests. based on t(1/2) of 10% chlorine of 220 days at 77ºF and 3.07x10^(-33) or 2. hydrolysis half-life 0.92x10^-4 or half-life d 5. t(1/2)=-ln(0.(0. pm) counting all carbonates and dissolved carbon dioxide 4. t(1/2)=-ln(0. formula doesn't account for pH dependence (hypochlorite ion concentratio )*[OCl-]^2 at 77ºF.9064 g/mole gives 0.024 sec.30x10^-4 per second for HOCl/OCl (0. rate of 3.72 .5 of outgassing of CO2 scaled so double concentration is baseline rate of 1 ojtowicz since this formula doesn't work with the data in his tables s lower than this maximum.49V Note that the silver/silver chloride electrode is 230 mV at 25ºC > HSO4.69734 . d 5.3 g/liter solubility / 70. B(OH) e Delta .238 m2/W*hr and 15 W/m2 peak gives 9.4x10^-4 for OCl-.4e4*[H2ClY-][HOCl] and [HOCl] assumed to be 0 for chlorine tests. at 3000 ppm.+ H2O EO=+1.93x10^(-5) x10^(-26) or 2.92x10^-4 or half-life of om oxidation of chlorinated isocyanurate by hypochorite ion. otherwise.e. TotHydDelta=TotCarbDelta*(2*[H2CO3]+[HCO3-]+[CaHCO3+])/TotCarb. factor of 2 used assuming dominant TDS is sodium chloride so two ions per molecule CaSO4 may precipitate as well as CaCO3 e particularly useful. NH2Cl + NHCl2 --> N2(g) + 3H+ + 3Cl- (g) + 3H2O + 3H+ + 3Cl. H2CO3.2e7*[HCY2-][HOCl] and [HOCl] assumed to be 0 ^(-1510/T(K)))*[NH3][HOCl] . > 7 no protective corrosion inhibitor. NH3Cl+ + NH2Cl --> NHCl2 + NH4+ so net second-order 2NH2Cl + H+ --> NHCl2 + NH4+ Cl][HOCl]/[NHCl2] ^(-3420/T(K)))*[NHCl2][HOCl] at 3. NHCl2 + HOCl --> NCl3 + H2O + 4[H2CO3] + 800[HCO3-])*[NH2Cl]^2 M/hr . NH3 + 4HOCl --> NO3. same interpretation as Ryznar e particularly useful.7x10^8*e^(-3000/RT(K)) H3][HOCl]/[NH2Cl] ^(-2010/T(K)))*[NH2Cl][HOCl] .6x10^7*(10^(-7300/RT(K)))*[1+[H+]+[HAC]]*[H .+ H2O sion = -1. 2NH2Cl --> NHCl2 + NH3 catalyzed by H+. NH3 + HOCl --> NH2Cl + H2O .5 .86 C/m (m = moles/kg). same interpretation as Ryznar m oxide to silicon dioxide in the crystal must prevent this very strong thermodynamic tendency ln(10)*([OH-]+[H+]+[HA]*[A-]/([HA]+[A-]) ln(10)*([OH-]+[H+]+[HA]*[A-]/([HA]+[A-]) ln(10)*([OH-]+[H+]+[HA]*[A-]/([HA]+[A-]) ln(10)*([OH-]+[H+]+[HA]*[A-]/([HA]+[A-]) ln(10)*([OH-]+[H+]+[HA]*[A-]/([HA]+[A-]) ln(10)*([OH-]+[H+]+[HA]*[A-]/([HA]+[A-]) ln(10)*([OH-]+[H+]+[HA]*[A-]/([HA]+[A-]) ln(10)*([OH-]+[H+]+[HA]*[A-]/([HA]+[A-]) ln(10)*([OH-]+[H+]+[HA]*[A-]/([HA]+[A-]) ln(10)*([OH-]+[H+]+[HA]*[A-]/([HA]+[A-]) .+ H2O + 5H+ + 4Cl(g) + 3H+ + 3Cl.4e4*[H2ClY-][HOCl] and [HOCl] assumed to be 0 2.2<pH<4.. another source is 9. another source is 7. HCO3- NHCl2] M/hr . > 8 may corrode steel e particularly useful.-7. NH2Cl + HOCl --> NHCl2 + H2O. < 6 scales. 09*1000/2)*((ppm Borates)/(10. at dissociated) YA-]+[extra NaCl] and ignoring [CYA2-] and [CYA3-] )-(100.5/( oC+273.15 -1412.15) ]+4*[SO42-]+[Na+]+[Cl-])/2 om CaCl2.15)+1412. but if <0 then use 0 pm CYA)/(129. but the salt we will just pick up from the TDS number subtracting out other known species.44*1000) m Borates)/(10810))/(1+10^(9.3292*5*sqrt(I))-1412.08*1000))/(1+10^(pKcya1-pH))+(extra NaCl ppm)/(58.15)+4.acCaHCO3+)K(CaHCO3+))-2*(acCa2+)[Ca2+](acHCO3-)[HCO3-]K2/((acH+)[H+]K(CaCO3o)) (1/((acCaHCO3+)K(CaHCO3+))+2*K2/((10^-pH)*K(CaCO3o))) O3-)[HCO3-]K2/((acH+)[H+]K(CaCO3o))-(acCa2+)[Ca2+](acSO42-)[SO42-]/K(CaSO4o)-(acCa2+)[Ca2+](acOH-)[OH-]/K(CaOH-) 0^-pH)*K(CaCO3o)))+(acCa2+)*((acSO42-)[SO42-]/K(CaSO4o)+(acOH-)[OH-]/K(CaOH+)) 1))*(H/R)*(1/T .11-pH)) YA. NaHCO3 and CYA.5117*5*sqrt(I)/(1+0.11-pH)) not accounting for ion pairs .1/298.7375 )).15 oK = 77oF) 00/2)-0.5/( oC+273.81*1000))/(1+10^(9.5/298.11-pH)+(extra NaCl ppm)/58440 298. but if <0 then use 0 es)/(1+10^(9. ual the actual Total CYA since the formula is based on the Total CYA equation. and iterate as follows. YA]*d(g([HOCl]))/d[HOCl] [HOCl]))/d[HOCl])/(f([HOCl]))^2+[CYA]*d(g([HOCl]))/d[HOCl] .counting for ion pairs and approximate ionic strength using only TDS Dominant species are in bold: This is [CYA]+[CYA-]+[CYA2-]+[CYA3-] This is [Cl3CY] This is [HCl2CY]+[Cl2CY-] This is [H2ClCY]+[HClCY-]+[ClCY2-] This is [HOCl]+[OCl-] This is 3*[Cl3CY] This is 2*([HCl2CY]+[Cl2CY-]) This is [H2ClCY]+[HClCY-]+[ClCY2-] m to iterate [HOCl]. mula (keeping the error terms where "b" and "d" exists in place): tant) to 0 gives us: al CYA)/(1000*CYA_g_mole)-(Free Chlorine)/(1000*Cl 2_g_mole) + d) ine)/(1000*Cl 2_g_mole)) + d) tial computed [CYA] ng actual errors e (by 5x or more. at 3x or less it falls apart) is as follows: . (so net 8-2=6 net hydrogen) .+ 3H2O (so net 4-2=2 net hydrogen) Na2B8O13•4H2O + 9H2O --> 2Na+ + 8B(OH)3 + 2OH.to total TDS) marine plankton (so possibly prevents most algae?) FC ppm Cl2 Na2B4O7•10H2O --> 2Na+ + 4B(OH)3 + 2OH. 5.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.+ H2O + (b/2)N2(g) + (d/2)H2O + (2*a+d/2-c)H+ + (2*a+d/2-c)Cl0.0000 .0000 NH2 + HOCl --> N2(g) + 2CH4 + H+ + Cl.0000 0.0000 0.0000 0.25% weight NaOCl) % weight NaOCl) 25% weight NaOCl) 0. 00 theory. 1.875 theory.23 practice at pH 6. 2.0000 alkalinity (0. 1.60 at pH 9.46/7.50 theory.0000 zed pool/spa 0.0000 ty (2.alkalinity (4.5.67 practice at pH 4) 0. 2.56/0.00 practice at pH 11) 0.0000 .0) 0.23/3. 1% Potassium Bisulfate.. 2*152.77=49.5% Potassium Monopersulfate.77=22. Potassium Persulfate (Peroxydisulfate) .5 pH and that 4% by weight is calcium hydroxide) 36.17/614.17/614. 0000 1.0000 1.0000 1.0000 .0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.ot calculated ey are quite a bit different and don't seem to apply to pool salinity levels d Busenberg 1982 easier to ignore both effects) setting this TRUE uses temperature dependent hydrolysis constants from Wojtowicz applied to O'Brien dat Iteration #1 Iteration #1 1.0000 1.0000 1.0000 1.0000 1. 489 4.491 3.839 10.9973E-03 .946 6.188 -15.9973E-03 2.930 4.124 0.119 3.374 2.239 2.425 7.13.0000E+00 0.9973E-03 moles/liter 1.314 1.427 3.420 1.521 1.900 5.023 1.2310E-05 2.850 11.250 8.523 6.9982E-03 4.0000E+00 2.0000E+00 0.392 9.223 9.3242E-04 2.9973E-03 0.927 13.847 [Ca2+] 2.421 towicz then fit to O'Brien at 77F 5.630 6.343 10.800 2.070 4. 9947E-03 7.6003E-10 7.3164E-05 0.0000E+00 1.0221E-06 534.0956E-02 0.5112E-05 1.1047E-05 H+)-[CaOH+]-[Cl2CY-]-[HClCY-]-2[ClCY2-]-[B(OH)4-] 1.8081E-05 [HOCl] 2.9247E-08 1.9531E-06 1.0 0.0000E+00 4*[H2ClCY]+4[Cl2CY-]+3[HClCY-]+2[ClCY2-]+[B(OH)3]+[NH4+] 2.8484E-03 1.6797E-11 1.0000E+00 0.8453E-16 2. not carbonic acid 1.0000E+00 3.9973E-04 2.0000E+00 1.2573E-04 6.0248E-06 8.2066E-05 1.1400E-03 1.2066E-05 -2.1519E-04 1.0221E-06 534.0000E+00 0.6524E-03 2.0000E+00 0.0000E+00 1.0 5.Error in Calcium 1 1 1.3019E-02 .0 1.6363E-07 2.2134E-04 3.5785E-07 3.0000E+00 0.0000E+00 0.5333E-06 0.9947E-03 7.4338E-05 539.0419E+00 0 0 -1.3 1.2066E-05 2.1623E-08 3.4260E-07 4.7316E-05 0.0259E-05 1.8484E-03 Total Ionic Strength 5.7642E-05 6.7489E-03 species is actually dissolved carbon dioxide.9947E-03 5.0956E-02 0.0000E+00 0 0 5.0000E+00 529. assumed Ea=53 kJ/mole k2/k1=exp(-(Ea/R)*(1/T2-1/T2)). B(OH)4 counts as one H+ otherwise.4 28. say 15. half-life of CYCl compounds is 8.6 [Cl-] om water..4 mV mV mV mV per per per per doubling doubling doubling doubling [HOCl] [HOCl] [HOCl] [HOCl] gives 9.0017E-03 1 1 1.0013E+00 Error in Chloride 0 0 4.92x10^-4 or half-life of 11. this this this this sensor sensor sensor sensor 22 28 46 84 CYA CYA CYA CYA Paper Paper Paper Paper (Thomas (Thomas (Thomas (Thomas Kuechler) Kuechler) Kuechler) Kuechler) 28. Brian 1966.6 minutes).4 28.4 hypochlorite ion concentration) .0017E-03 6. half-life of CYCl compounds is es 9. 2.0000 6.0.024 sec. half-life (with no CYA) is 35 minutes.92x10^-4 or half-life of 11.4 instead of 28. other sources. half-life (with no CYA) is 35 minutes.4 28.3x10^-5 for CYCl.7316E-05 half-life 0.0963E-03 6.0017E-03 6. 2.6 minutes).3x10^-5 for CYCl. TotCarbDelta is used. RT(K)))*[1+[H+]+[HAC]]*[HOCl]*[NH2Cl] per molecule . own species. . 0628E+00 -4.9437E-05 .9538E+00 6.5618E+01 5.8795E+01 3.f([HOCl]) d(f([HOCl]))/d[HOCl] g([HOCl]) d(g([HOCl]))/d[HOCl] d(h([HOCl]))/d[HOCl]) d(Free Chlorine calculated)/d[HOCl] d[HOCl] 0.4270E+06 7.0000E+00 5.0000E+00 0.4470E+06 1. . 0000E+00 0.0000 0.0000 0.0000 0.0000 ### 0.components in strong acids and bases ppm SO42.0000E+00 0.0000 0.0000 0.0000E+00 .Calcium NOTE: TDS excludes H+ and OH.0000 0.0000 0.0000E+00 0.0000 0.ppm Boron ppm CYA ppm CaCO3 ppm TDS moles H+ 0.0000E+00 0.0000 0. 0000 0.0000 ### 0.0000 0.0000E+00 .0000 ### 0.0000 0.0000 ### 0.0000 ### 0.0000E+00 0.0000 0.0000E+00 0.0000 0.0000 0.0000 0.0000 ### 0.0000 0.0000 ### 0.0000E+00 0.0000 0.0. 0000 0.0000 ### 0.0000 0.0.0000E+00 0.0000 ### 0.0000 0.0000E+00 0.0000 0.0000 0.0000 0.0000 ### 0.0000 0.0000 ### 0.0000 ### 0.0000 0.0000 0.0000 0.0000E+00 0.0000 0.0000 0.0000 ### .0000 0.0000 ### 0.0000 0.0000E+00 0. Oxone is 43% monopersulfate. 3% peroxydi . 23% bisulfate. 29% sulfate.sium Persulfate (Peroxydisulfate). may be irritating. K2S2O8. 3797 0.8980 1.0000 1.8974 0.8980 1.8980 0.8974 0.3776 0.0000 1.8974 0.0000 1.6487 0.8974 0.8980 0.8980 0.0000 0.8974 0.8980 1.8980 0.6503 0.6487 0.8980 0.3776 0.6503 0.0000 1.8974 0.6503 1.6503 0.0000 0.3797 0.0000 1.6487 0.8974 0.0000 0.6503 0.6487 0.8980 0.8974 0.8980 0.8974 0.6487 0.8980 0.6503 0.8980 1.8980 1.3797 0.8980 0.8974 0.0000 0.8974 0.8974 0.8980 0.8974 Iteration #3 0.8974 0.8974 0.6503 0.0000 1.6503 0.6487 0.8980 0.6487 0.8980 0.6503 0.6487 0.3776 0.0000 1.0000 0.8974 0.8974 0.8980 0.8980 0.6503 1.8974 0.8974 0.0000 0.8980 .3776 0.8980 1.0000 0.6487 0.6487 0.8974 0.0000 0.Wojtowicz applied to O'Brien data Iteration #1 Iteration #2 Iteration #1 Iteration #3 1.0000 1.8974 0.3797 0.0000 1.8980 0.8974 0.0000 Iteration #2 0. 296 10.930 4.3242E-04 2.0000E+00 0.932 3.380 3.421 4.191 7.0000E+00 0.900 6.250 1.149 9.233 1.070 8.119 0.931 0.380 5.936 0.0000E+00 0.9982E-03 1.001 1.867 6.223 -16.491 3.173 13.256 6.2310E-05 2.2310E-05 4.863 2.793 9.937 0.8767E-03 moles/liter moles/liter 1.867 6.062 1.800 2.865 2.803 11.174 1.2310E-05 2.421 4.804 11.523 5.114 4.900 6.936 0.740 13.232 1.474 1.0000E+00 0.070 8.070 4.235 9.191 7.792 9.883 1.188 9.9973E-03 0.254 6.345 3.223 -16.296 10.174 13.739 13.193 7.374 2.865 2.0000E+00 0.930 4.847 -16.900 5.173 13.235 9.345 3.491 3.8767E-03 2.867 6.114 4.930 4.9973E-03 2.9982E-03 1.063 1.193 7.0000E+00 0.392 3.900 6.523 5.882 1.491 3.9982E-03 4.0000E+00 0.9165E-03 2.148 9.9165E-03 .930 4.3242E-04 2.630 6.420 1.474 1.800 2.235 9.946 6.793 9.521 1.9973E-03 0.223 9.345 3.9973E-03 moles/liter moles/liter 1.3242E-04 2.070 8.998 1.740 13.932 0.343 10.523 5.149 9.867 6.232 2.0000E+00 0.804 11.0000E+00 2.800 2.148 9.116 4.314 13.9973E-03 0.523 6.0000E+00 0.421 4.930 4.792 9.254 6.0000E+00 0.023 1.800 2.425 7.9973E-03 2.221 -16.070 8.883 1.803 11.927 13.900 6.2310E-05 2.239 2.380 5.345 9.0000E+00 0.0000E+00 2.474 1.421 4.421 5.380 5.235 -15.297 10.489 4.233 2.124 0.491 3.001 1.427 5.839 10.474 1.523 5.0000E+00 0.931 0.863 2.0000E+00 2.9982E-03 4.998 1.2310E-05 4.937 0.882 1.850 11.800 2.221 moles/liter 1.062 1.9982E-03 4.116 4.491 3.3242E-04 2.063 8.297 10.3242E-04 2.256 6.739 13.13. 4007E-05 1.2616E-04 -2.5215E-08 3.4015E-14 3.0775E-04 1.8453E-16 2.4041E-07 2.4041E-07 2.8965E-03 1.9 514.7995E-03 1.7872E-03 1.0956E-02 -1.0277E+00 1.0259E-05 1.0000E+00 0.9035E-07 8.7332E-03 1.8837E-03 1.0816E-02 1.4260E-07 4.0386E-07 4.7316E-05 0.6273E-13 1.0000E+00 0.6273E-13 1.0000E+00 0.4668E-03 1.6531E-06 3.0259E-05 1.9 1.0000E+00 0.4614E-05 1.4614E-05 1.0277E+00 1.2134E-04 3.9947E-03 -2.9947E-03 5.0000E+00 1.5236E-08 3.6696E-06 3.7202E-04 9.1688E-09 6.1519E-04 1.6363E-07 2.8850E-09 1.0000E+00 1.8850E-09 1.2946E-02 1.0000E+00 0.6664E-06 7.5097E-05 1.2236E-07 2.6805E-07 2.4338E-05 539.7332E-03 2.3 1.7642E-05 6.3019E-02 5.5215E-08 4.2106E-05 3.0000E+00 0.0000E+00 0.2 1.1938E-04 6.6696E-06 0.0816E-02 1.2 518.2946E-02 -1.8837E-03 1.2253E-05 4.0000E+00 0.9903E-05 0.5181E-05 4.9717E-07 -2.1688E-09 6.0000E+00 514.0957E-05 -2.7995E-03 1.6003E-10 7.0000E+00 0.3213E-05 4.0816E-02 3.0854E-02 0.9717E-07 1.0278E+00 1.0000E+00 0.2253E-05 4.0 1.8837E-03 1.0850E-04 1.0956E-02 0.0000E+00 0.3115E-04 526.0000E+00 1.0259E-05 1.0419E+00 1.3213E-05 1.9973E-04 2.3164E-05 7.0000E+00 1.1938E-04 6.8837E-03 1.2907E-07 4.0658E-07 2.4975E-07 6.0000E+00 0.0000E+00 0.5181E-05 4.2394E-15 7.3452E-06 1.9947E-03 -1.3759E-03 2.9035E-07 2.8972E-09 2.0000E+00 0.0000E+00 0.0000E+00 0.0818E-07 1.9947E-03 5.0000E+00 0.9903E-05 2.0956E-02 1.4007E-05 1.8965E-03 1.7234E-05 -5.3102E-02 5.9947E-03 5.8453E-06 0.7234E-05 2.0816E-02 1.0000E+00 1.8965E-03 1.6805E-07 -5.2959E-07 0.0000E+00 3.2959E-07 4.3069E-02 1.6797E-11 1.7489E-03 1.7223E-03 1.0087E-14 2.0000E+00 0.0816E-02 0.0816E-02 1.7202E-04 9.0818E-07 2.5333E-06 3.0000E+00 0.5301E-03 1.3759E-03 2.8081E-05 5.9247E-08 1.9 1.0000E+00 529.2573E-04 4.2066E-06 2.0087E-14 3.8484E-03 1.5301E-03 3.0000E+00 0.0000E+00 0.9531E-06 1.5829E-11 1.3115E-04 -1.0000E+00 0.1623E-08 3.0658E-07 1.2907E-07 3.3452E-06 2.0000E+00 2.0000E+00 3.2616E-04 529.9 526.0957E-05 4.2236E-07 1.4015E-14 2.1.9602E-06 5.2394E-15 7.8972E-09 2.8644E-07 3.7872E-03 1.7223E-03 1.5097E-05 1.9690E-05 2.0386E-07 4.1047E-05 1.0259E-05 1.4975E-07 -2.3069E-02 .0000E+00 0.6664E-06 7.0850E-04 1.0000E+00 518.2066E-05 8.0956E-02 0.6524E-03 1.0854E-02 1.1400E-03 2.8644E-07 1.0278E+00 -1.5829E-11 1.2066E-06 8.0854E-02 1.0000E+00 3.0000E+00 0.0 529.4668E-03 2.6531E-06 3.5112E-05 4.0000E+00 0.0000E+00 0.0 1.2106E-05 3.0854E-02 1.8484E-03 1.5236E-08 4.0000E+00 0.3102E-02 1.0000E+00 0.0000E+00 0.0775E-04 1.0000E+00 0.5785E-07 0.8965E-03 5.9690E-05 0.8453E-06 7.0259E-05 1.9602E-06 3.0248E-06 1. 0489E-03 1.0963E-03 6.4 instead of 28.5499 6. say 15.0007E+00 1.4 hours (could be 6?) half-life of CYCl compounds is 8.0243E-03 6.0246E-03 5.0000 6.9947E-03 1.4 hours (could be 6?) 0.5499 0.6 ubling ubling ubling ubling 0.4278E-05 -5.0246E-03 6.9947E-03 5.0007E+00 -5.0013E+00 4.0007E+00 -3.4278E-05 [HOCl] [HOCl] [HOCl] [HOCl] es.0007E+00 1.0243E-03 6.7316E-05 966.6206E-08 .6206E-08 -3.0.0489E-03 6.5429 0.5429 6.0017E-03 1. half-life of CYCl compounds is 8. . . 5.8795E+01 3.4270E+06 7.5618E+01 5.4470E+06 1.9538E+00 6.0628E+00 -4.9437E-05 9.6817E+00 1.7933E+06 3.9569E+00 2.0183E+06 2.0628E+00 3.2921E+01 -1.7385E-06 9.6817E+00 1.7933E+06 3.9569E+00 2.0183E+06 2.0628E+00 3.2921E+01 -1.7385E-06 6.7148E+00 1.6149E+06 7.5588E-01 1.6627E+06 2.0622E+00 5.3320E+01 2.8471E-07 6.7148E+00 1.6149E+06 7.5588E-01 1.6627E+06 2.0622E+00 5.3320E+01 2.8471E-07 ids and bases . % bisulfate. . 3% peroxydisulfate. 29% sulfate. 2% magnesium carbonate. 6498 0.8978 0.6498 0.8978 0.8978 0.8978 0.8978 0.6498 0.8978 0.6498 0.8978 0.6498 0.8978 0.8978 0.8978 0.8978 0.8978 0.3791 0.8978 0.3791 0.3791 0.6498 0.6498 0.8978 0.8978 0.8978 0.8978 0.8978 0.3791 0.8978 .6498 0.6498 0.6498 0.8978 0.6498 0.8978 0.8978 0.8978 Iteration #5 0.8978 0.8978 0.8978 0.8978 0.3791 0.8978 0.3791 0.6498 0.8978 0.3791 0.8978 0.8978 0.8978 0.6498 0.Iteration #4 Iteration #5 Iteration #4 0.6498 0.6498 0.3791 0.6498 0.8978 0.8978 0.6498 0.6498 0.8978 0.8978 0.8978 0.8978 0.8978 0.8978 0.6498 0.8978 0.8978 0.8978 0.6498 0.8978 0. 3242E-04 2.063 1.233 2.9982E-03 4.865 2.474 1.936 0.474 1.380 3.149 9.174 13.793 9.474 1.930 4.865 2.804 11.13.296 10.149 9.900 6.192 7.932 0.883 1.235 -16.804 11.070 8.0000E+00 0.0000E+00 2.256 6.380 5.804 11.063 1.235 9.115 4.0000E+00 0.9973E-03 0.2310E-05 2.0000E+00 2.2310E-05 2.149 9.421 5.063 1.115 4.883 1.070 8.930 4.222 moles/liter 1.0000E+00 2.256 6.174 0.070 4.740 13.222 -16.930 4.740 13.192 7.900 6.0000E+00 0.2310E-05 2.192 7.235 9.867 6.793 9.0000E+00 0.345 3.9163E-03 moles/liter moles/liter 1.421 4.0000E+00 0.867 6.222 -16.9164E-03 .800 2.345 3.0000E+00 0.296 10.523 5.3242E-04 2.421 4.9982E-03 1.345 9.0000E+00 0.523 6.149 9.523 5.883 1.233 2.936 0.932 0.296 10.883 1.740 13.222 -16.9973E-03 0.865 2.900 6.804 11.932 0.930 4.192 7.380 5.793 9.900 5.491 3.867 6.256 6.3242E-04 2.740 13.491 3.491 3.296 10.380 5.865 2.800 2.9982E-03 4.235 9.800 2.9973E-03 2.256 6.345 3.936 0.000 1.0000E+00 0.867 6.9163E-03 moles/liter 1.000 1.233 2.233 1.000 1.421 4.936 0.793 9.3242E-04 2.491 3.174 13.0000E+00 0.9973E-03 0.063 8.932 2.474 1.070 8.115 4.9164E-03 2.523 5.2310E-05 4.9982E-03 4.800 2.174 13.115 4.000 1. 2459E-07 1.5633E-07 7.0000E+00 0.2922E-07 3.7309E-03 1.7970E-03 1.9947E-03 -1.9880E-05 0.3067E-02 1.3 1.0278E+00 1.5 1.8937E-03 5.8938E-03 1.0814E-07 1.0833E-04 1.3122E-05 4.0000E+00 0.8953E-07 7.3452E-04 527.0000E+00 0.0000E+00 515.8273E-06 7.0832E-04 1.6740E-07 3.0814E-07 2.4482E-03 2.0854E-02 1.1479E-07 1.0000E+00 0.0000E+00 0.8273E-06 0.9947E-03 -1.7124E-15 1.0854E-02 0.0854E-02 -6.8817E-14 3.1497E-05 1.6740E-07 9.7755E-05 1.0000E+00 0.0278E+00 1.6039E-04 9.6664E-06 3.5221E-08 4.5276E-07 3.3122E-05 4.0814E-07 2.3452E-04 527.2459E-07 1.2922E-07 0.2922E-07 0.0000E+00 0.8937E-03 1.0000E+00 0.0854E-02 1.0278E+00 1.6091E-04 9.3121E-05 4.2339E-09 1.0000E+00 0.0000E+00 0.0000E+00 515.3 1.8756E-14 8.6695E-07 6.9882E-05 2.8937E-03 1.8275E-06 7.0854E-02 1.6661E-06 0.2640E-09 1.0814E-07 2.2274E-06 1.8756E-14 3.3067E-02 .1479E-07 1.0000E+00 0.0854E-02 1.5 1.0854E-02 1.7970E-03 1.0000E+00 1.8630E-07 8.7755E-05 1.4473E-03 1.6091E-04 9.6664E-06 3.0259E-05 1.9972E-07 6.5 1.0000E+00 3.0000E+00 2.0854E-02 -6.8938E-03 1.0000E+00 1.0833E-04 1.3441E-04 -1.2267E-05 1.0000E+00 0.8938E-03 1.8938E-03 1.9947E-03 5.9882E-05 0.0000E+00 0.0000E+00 0.0854E-02 1.3121E-05 7.0000E+00 0.8342E-05 1.0000E+00 0.8980E-10 2.7308E-03 3.7969E-03 1.8953E-07 7.7308E-03 1.8344E-10 2.0278E+00 3.8980E-10 2.5221E-08 4.9880E-05 0.0259E-05 1.7309E-03 1.0000E+00 0.0000E+00 0.8344E-10 2.3180E-09 3.0000E+00 0.3068E-02 5.5 515.7969E-03 1.9972E-07 1.3497E-07 9.5876E-07 7.6695E-07 3.0259E-05 1.5876E-07 7.0000E+00 515.6039E-04 9.0000E+00 0.8817E-14 3.5221E-08 3.7124E-15 1.3 527.0259E-05 1.2339E-09 1.2274E-06 1.1845E-15 1.5276E-07 3.0854E-02 1.9075E-07 9.5633E-07 7.0000E+00 3.4473E-03 2.1845E-15 1.8630E-07 9.3180E-09 4.4482E-03 2.9075E-07 9.8937E-03 1.0854E-02 0.8275E-06 7.2922E-07 4.0832E-04 1.2640E-09 1.3441E-04 527.3 1.0000E+00 3.0854E-02 0.2372E-05 1.0000E+00 0.5361E-09 8.1497E-05 1.8342E-05 1.3068E-02 5.6661E-06 3.0000E+00 0.3497E-07 9.5361E-09 8.1.0000E+00 1.2372E-05 1.9947E-03 -1.2267E-05 1.5221E-08 4. 0245E-03 5.0007E+00 -2.0007E+00 1.0245E-03 5.6687E-14 -1.0007E+00 -1.9947E-03 1.9947E-03 1.0245E-03 5.0.9947E-03 1.6687E-14 .5448 0.9947E-03 5.5448 6.4596E-11 0.5448 6.0007E+00 -2.4596E-11 6.5448 0.0245E-03 6. . . 7239E+06 2.2622E+00 1.7210E+06 2.8383E+01 3.2031E+00 1.4188E-08 7.8599E+01 1.2377E+00 1.4188E-08 7.7.6457E+06 1.2622E+00 1.0624E+00 4.1749E-11 .6457E+06 1.8383E+01 3.2377E+00 1.0624E+00 4.8599E+01 1.6442E+06 1.6442E+06 1.0624E+00 4.7210E+06 2.1749E-11 7.1797E+00 1.2031E+00 1.1797E+00 1.0624E+00 4.7239E+06 2. . . . . . 8978 0.6498 0.6498 0.8978 0.3791 0.8978 Iteration #8 0.6498 0.8978 0.Iteration #6 Iteration #7 Iteration #8 Iteration #6 0.8978 0.6498 0.8978 0.6498 0.8978 0.8978 0.8978 0.8978 0.6498 0.3791 0.8978 0.6498 0.3791 0.8978 0.3791 0.8978 0.6498 0.8978 0.6498 0.8978 0.8978 0.3791 0.6498 0.8978 0.8978 0.8978 0.8978 0.6498 0.8978 0.8978 0.8978 0.8978 0.8978 0.6498 0.8978 0.6498 0.8978 0.8978 0.6498 0.3791 0.8978 0.6498 0.6498 0.8978 .6498 0.8978 0.8978 0.3791 0.8978 0.6498 0.6498 0.8978 0.8978 0.8978 0.8978 0.3791 0.8978 0.8978 0.8978 0.6498 0.8978 0.8978 0.8978 0.3791 0.8978 0.6498 0.6498 0.6498 0.8978 0.8978 0.3791 0.8978 0.8978 0.8978 0.8978 0.8978 0.8978 0.6498 0.8978 0.8978 Iteration #7 0.8978 0.6498 0. 0000E+00 2.9982E-03 1.0000E+00 0.523 5.865 2.883 1.421 4.3242E-04 2.174 13.000 1.865 2.865 2.174 0.9164E-03 .296 10.192 7.0000E+00 0.0000E+00 0.932 0.936 0.0000E+00 2.421 5.9973E-03 0.936 0.115 4.000 1.0000E+00 0.9164E-03 moles/liter 1.000 1.865 2.174 13.932 2.000 1.192 7.235 9.070 4.491 3.3242E-04 2.900 6.296 10.491 3.222 -16.222 -16.0000E+00 0.233 2.2310E-05 2.491 3.149 9.883 1.256 6.235 9.222 moles/liter 1.932 0.233 2.0000E+00 2.063 1.740 13.474 1.793 9.865 2.256 6.2310E-05 4.804 11.063 1.900 5.063 8.115 4.793 9.235 -16.740 13.070 8.192 7.491 3.9982E-03 4.256 6.930 4.930 4.740 13.936 0.793 9.070 8.883 1.296 10.9982E-03 4.867 6.174 13.000 1.474 1.0000E+00 0.115 4.222 -16.380 5.296 10.380 5.9973E-03 2.222 -16.256 6.0000E+00 0.3242E-04 2.115 4.936 0.800 2.0000E+00 0.235 9.523 5.932 0.804 11.233 2.800 2.804 11.149 9.3242E-04 2.192 7.380 5.883 1.192 7.149 9.793 9.345 3.900 6.474 1.930 4.149 9.804 11.233 1.2310E-05 2.2310E-05 2.867 6.867 6.9973E-03 0.740 13.9164E-03 2.421 4.740 13.345 3.800 2.9973E-03 0.0000E+00 0.421 4.421 4.174 13.063 1.149 9.2310E-05 2.900 6.9973E-03 0.0000E+00 0.867 6.345 9.793 9.233 2.3242E-04 2.9982E-03 4.0000E+00 0.474 1.070 8.9164E-03 moles/liter moles/liter 1.930 4.804 11.474 1.523 6.867 6.296 10.380 5.900 6.13.930 4.115 4.491 3.070 8.523 5.0000E+00 2.800 2.345 3.345 3.9164E-03 moles/liter 1.9982E-03 4.523 5.883 1.235 9.063 1.256 6.936 0.800 2.932 0.380 3. 5876E-07 7.2267E-05 1.0278E+00 1.2922E-07 4.3 527.3402E-10 1.3 1.6698E-07 3.3121E-05 7.0000E+00 3.1026E-15 8.1483E-07 8.6747E-07 3.0000E+00 0.0854E-02 1.3440E-04 527.0000E+00 0.0000E+00 3.8343E-05 1.1483E-07 8.0854E-02 1.6039E-04 9.0000E+00 1.0000E+00 0.0000E+00 3.2339E-09 1.9882E-05 0.0854E-02 1.0854E-02 1.8981E-10 2.0814E-07 2.5435E-12 8.9947E-03 -1.8937E-03 1.8343E-05 1.5221E-08 3.3121E-05 4.1483E-07 1.0000E+00 515.8981E-10 2.0000E+00 0.0278E+00 1.0000E+00 2.8937E-03 1.0832E-04 1.8937E-03 1.6698E-07 3.1856E-15 1.2267E-05 1.3 1.2339E-09 1.5 1.6039E-04 9.0000E+00 0.0814E-07 2.6520E-08 1.2922E-07 0.6698E-07 3.6661E-06 3.9947E-03 -1.0000E+00 0.0854E-02 1.1483E-07 -3.0000E+00 0.0000E+00 0.0000E+00 0.9882E-05 0.2267E-05 1.6661E-06 3.9882E-05 0.7969E-03 1.5221E-08 4.0000E+00 0.0854E-02 1.0000E+00 3.8417E-10 1.7308E-03 1.0000E+00 0.0000E+00 0.2339E-09 1.1856E-15 1.4473E-03 2.0854E-02 1.3067E-02 5.0814E-07 2.8937E-03 1.0000E+00 0.4367E-14 8.7969E-03 1.8756E-14 3.8756E-14 3.6039E-04 9.5876E-07 7.8273E-06 7.4473E-03 2.7308E-03 3.8343E-05 1.3440E-04 -1.3067E-02 .1483E-07 -5.8981E-10 2.9076E-07 9.6747E-07 9.8343E-05 1.3440E-04 -1.8273E-06 7.7969E-03 1.6039E-04 9.0832E-04 1.2267E-05 1.3067E-02 1.8273E-06 7.0000E+00 0.6747E-07 9.4473E-03 2.0278E+00 1.2922E-07 3.5221E-08 4.0000E+00 1.5221E-08 4.2339E-09 1.9882E-05 0.5435E-12 -3.9947E-03 5.3067E-02 1.1856E-15 1.0000E+00 515.0832E-04 1.6520E-08 1.0854E-02 0.3440E-04 527.6661E-06 3.6661E-06 3.8937E-03 1.6698E-07 -9.3121E-05 4.5 1.0000E+00 0.0854E-02 1.7969E-03 1.3 1.8417E-10 4.3067E-02 5.0259E-05 1.5 515.0000E+00 0.3121E-05 4.6661E-06 0.6039E-04 9.0814E-07 1.7319E-12 4.9076E-07 9.2922E-07 0.0854E-02 0.0553E-07 1.0814E-07 2.1856E-15 1.5876E-07 7.0259E-05 1.3 527.0000E+00 0.4367E-14 -9.8937E-03 1.0854E-02 3.0000E+00 515.7308E-03 1.3440E-04 527.0000E+00 0.1.6698E-07 3.8756E-14 3.7969E-03 1.0000E+00 0.0259E-05 1.8343E-05 1.0854E-02 0.3121E-05 4.2339E-09 1.0000E+00 0.8756E-14 3.8981E-10 2.8756E-14 9.2922E-07 0.9076E-07 9.8937E-03 1.2267E-05 1.0000E+00 0.9947E-03 -1.5876E-07 7.0832E-04 1.0000E+00 1.0000E+00 0.9882E-05 2.7308E-03 1.6747E-07 9.8937E-03 5.0000E+00 0.0259E-05 1.0854E-02 1.5 1.0000E+00 0.0832E-04 1.0854E-02 4.8937E-03 1.1856E-15 1.8273E-06 7.5876E-07 7.8981E-10 2.0259E-05 1.9076E-07 9.0000E+00 0.4473E-03 1.8273E-06 0.5343E-13 4.5221E-08 4.9076E-07 9.7308E-03 1.0000E+00 0.7319E-12 2.9947E-03 5.0553E-07 3.0278E+00 1.0000E+00 0.0854E-02 1.6747E-07 9.0000E+00 1.4473E-03 2.5 515.0278E+00 1.8937E-03 1.0000E+00 0. 5448 0.0007E+00 -1.0245E-03 6.0007E+00 -1.0842E-19 6.1184E-17 -1.9947E-03 5.9947E-03 1.5448 0.9947E-03 5.0245E-03 5.2536E-19 .0.9947E-03 1.0007E+00 -1.0245E-03 5.1184E-17 0.5448 6.5448 6.0007E+00 1.0245E-03 6.0007E+00 1.5448 0.0842E-19 -1.0245E-03 5.9947E-03 1. . . 0624E+00 2.8382E+01 -1.9504E-15 7.2031E+00 1.8382E+01 4.0546E-16 .2622E+00 1.7239E+06 2.9504E-15 7.6457E+06 1.2031E+00 7.8382E+01 -7.7239E+06 2.7239E+06 2.6457E+06 1.0624E+00 4.3241E-14 -7.8382E+01 -1.0624E+00 4.3241E-14 7.6457E+06 1.7.0624E+00 4.2622E+00 1.2622E+00 1.2622E+00 1.2031E+00 1.2031E+00 1.7239E+06 2.2031E+00 1.6457E+06 1.0624E+00 4.2622E+00 1.8382E+01 -1.7239E+06 1.6457E+06 1. . . . . . 3791 0.6498 0.8978 0.8978 0.8978 0.8978 0.8978 0.6498 0.8978 0.8978 0.8978 0.6498 0.6498 0.8978 .8978 0.3791 0.3791 0.8978 0.8978 0.8978 0.6498 0.6498 0.8978 0.6498 0.3791 0.8978 0.8978 0.8978 0.8978 0.8978 Iteration #10 0.8978 0.8978 0.8978 0.8978 0.3791 0.6498 0.8978 0.8978 0.8978 0.6498 0.6498 0.8978 0.6498 0.8978 0.8978 0.8978 0.8978 0.8978 0.8978 0.6498 0.6498 0.6498 0.3791 0.8978 0.8978 0.8978 0.8978 0.8978 0.8978 0.8978 0.8978 0.8978 0.8978 0.6498 0.6498 0.8978 0.6498 0.3791 0.8978 Iteration #9 0.Iteration #8 Iteration #9 Iteration #8 Iteration #10 0.6498 0.8978 0.8978 0.8978 0.8978 0.6498 0.6498 0.8978 0.6498 0.3791 0.3791 0.6498 0.3791 0.8978 0.6498 0.6498 0.8978 0.8978 0.8978 0.8978 0.6498 0. 800 2.235 -16.421 4.0000E+00 0.800 2.063 8.867 6.222 moles/liter 1.2310E-05 4.192 7.883 1.900 6.9982E-03 1.793 9.0000E+00 0.936 0.070 8.0000E+00 0.345 3.883 1.115 4.883 1.865 2.192 7.740 13.793 9.883 1.740 13.867 6.421 5.936 0.000 1.9164E-03 2.932 0.070 4.932 2.932 0.222 -16.474 1.523 5.883 1.115 4.174 13.793 9.149 9.491 3.345 3.804 11.804 11.149 9.13.9982E-03 4.235 9.9164E-03 .0000E+00 2.233 2.932 0.9973E-03 2.900 5.256 6.421 4.867 6.063 1.932 0.900 6.523 5.256 6.0000E+00 0.936 0.936 0.523 6.000 1.474 1.9973E-03 2.222 -16.865 2.296 10.3242E-04 2.063 1.867 6.2310E-05 2.740 13.9973E-03 0.174 13.865 2.296 10.474 1.149 9.063 1.296 10.380 5.3242E-04 2.0000E+00 0.233 2.930 4.256 6.900 6.0000E+00 0.380 3.149 9.063 1.523 5.192 7.233 2.192 7.740 13.936 0.0000E+00 0.9982E-03 4.930 4.235 9.0000E+00 2.115 4.9982E-03 1.3242E-04 2.491 3.867 6.174 0.9164E-03 2.9973E-03 0.256 6.865 2.0000E+00 0.474 1.900 6.3242E-04 2.149 9.9973E-03 0.523 5.2310E-05 2.296 10.2310E-05 2.380 5.421 4.222 -16.000 1.0000E+00 0.233 1.0000E+00 2.070 8.256 6.930 4.804 11.174 13.174 13.192 7.000 1.740 13.115 4.0000E+00 0.930 4.115 4.804 11.800 2.491 3.793 9.421 4.474 1.800 2.9164E-03 moles/liter moles/liter 1.793 9.9982E-03 4.491 3.930 4.804 11.296 10.345 3.000 1.380 5.491 3.345 9.070 8.235 9.0000E+00 0.222 -16.070 8.3242E-04 2.345 3.0000E+00 0.9164E-03 moles/liter moles/liter 1.2310E-05 4.865 2.233 2.380 5.235 9.800 2. 0000E+00 0.0000E+00 0.0814E-07 2.0854E-02 1.7308E-03 1.8273E-06 7.2339E-09 1.8937E-03 5.7308E-03 1.0854E-02 1.7308E-03 1.3 527.5876E-07 7.0000E+00 3.0259E-05 1.6039E-04 9.7969E-03 1.8273E-06 7.1483E-07 8.0832E-04 1.3440E-04 -1.2922E-07 0.8937E-03 1.8937E-03 1.1.5221E-08 3.6747E-07 9.0854E-02 2.2267E-05 1.5876E-07 7.0000E+00 1.6747E-07 9.0000E+00 0.0000E+00 0.9882E-05 0.9076E-07 9.0000E+00 0.9882E-05 0.0000E+00 0.1856E-15 1.6698E-07 3.0278E+00 1.0259E-05 1.0000E+00 0.0000E+00 0.5 1.0000E+00 0.0814E-07 1.7969E-03 1.0854E-02 0.6661E-06 3.3067E-02 5.1856E-15 1.8981E-10 2.5876E-07 7.2922E-07 3.8273E-06 7.6747E-07 3.8937E-03 1.8937E-03 1.8273E-06 0.3121E-05 4.2747E-11 2.0259E-05 1.1856E-15 1.3067E-02 1.8756E-14 9.6747E-07 9.4920E-16 4.1856E-15 1.0000E+00 0.8343E-05 1.8343E-05 1.9882E-05 2.8937E-03 1.0854E-02 1.6039E-04 9.7308E-03 1.0854E-02 1.0000E+00 0.0000E+00 0.5876E-07 7.0854E-02 0.7969E-03 1.6661E-06 3.6698E-07 3.0000E+00 515.0278E+00 1.0278E+00 1.9947E-03 -1.6661E-06 0.3 1.2339E-09 1.1483E-07 1.8756E-14 3.0000E+00 0.8937E-03 1.0259E-05 1.2922E-07 4.3402E-10 1.0000E+00 0.5 1.6698E-07 3.3121E-05 4.4473E-03 2.2267E-05 1.0000E+00 0.0259E-05 1.0000E+00 0.9076E-07 9.2747E-11 1.5343E-13 6.5 515.0854E-02 1.0000E+00 0.9882E-05 0.9947E-03 5.8981E-10 2.3440E-04 -1.7969E-03 1.9947E-03 -1.9882E-05 2.0000E+00 2.4920E-16 3.9076E-07 9.0000E+00 0.1483E-07 8.5221E-08 4.0854E-02 1.2267E-05 1.4473E-03 2.0000E+00 0.0000E+00 1.0000E+00 515.3121E-05 4.5221E-08 4.5 1.6039E-04 9.9947E-03 5.2339E-09 1.8937E-03 1.8343E-05 1.6039E-04 9.0832E-04 1.3067E-02 1.1026E-15 8.2267E-05 1.0000E+00 0.5221E-08 4.0000E+00 3.3440E-04 527.3 1.8756E-14 3.0854E-02 1.0278E+00 2.4473E-03 2.3406E-16 8.0854E-02 1.2339E-09 1.8981E-10 2.0854E-02 6.0000E+00 0.1483E-07 -7.3440E-04 527.0000E+00 0.6698E-07 -5.0000E+00 0.7171E-15 3.0000E+00 0.3121E-05 4.3440E-04 527.6661E-06 3.7969E-03 1.6661E-06 3.8937E-03 1.3067E-02 5.7308E-03 3.0243E-18 8.9076E-07 9.0854E-02 1.8756E-14 3.0000E+00 0.0832E-04 1.0814E-07 2.0832E-04 1.0000E+00 515.0000E+00 0.8937E-03 1.0000E+00 0.7171E-15 6.5221E-08 3.8981E-10 2.0832E-04 1.8343E-05 1.5 515.0000E+00 0.0814E-07 1.5876E-07 7.3 527.3 1.9076E-07 9.2267E-05 1.0000E+00 0.3067E-02 .0278E+00 1.4473E-03 2.3121E-05 7.8273E-06 7.6747E-07 9.1856E-15 1.8981E-10 2.0854E-02 4.0854E-02 0.2922E-07 4.1547E-13 6.1483E-07 -1.3406E-16 -1.9947E-03 -1.2339E-09 1.8756E-14 3.0000E+00 1.0243E-18 -7.1547E-13 1.0000E+00 3.0814E-07 2.8343E-05 1.6039E-04 9.2922E-07 0.6698E-07 3.0000E+00 0.4473E-03 1. 0.0245E-03 6.5448 0.5448 6.5448 0.0007E+00 1.4056E-19 -2.4056E-19 .0245E-03 5.9947E-03 5.5448 6.0007E+00 1.2536E-19 0.0245E-03 5.0245E-03 5.0007E+00 -3.0245E-03 6.9947E-03 1.9947E-03 1.0007E+00 -1.9947E-03 1.7608E-19 0.5448 6.0007E+00 -2.9947E-03 5.7608E-19 -3. . . 2622E+00 1.0546E-16 7.8382E+01 -2.7239E+06 2.6457E+06 1.2622E+00 1.6457E+06 1.2031E+00 1.7239E+06 2.7239E+06 2.2622E+00 1.8382E+01 -1.0624E+00 4.4518E-19 7.2031E+00 1.7239E+06 2.7708E-18 7.7.0624E+00 4.6457E+06 1.4518E-19 .2031E+00 1.8382E+01 -1.2031E+00 1.0624E+00 4.7708E-18 7.2031E+00 1.7239E+06 2.8382E+01 -2.0624E+00 4.8382E+01 -1.2622E+00 1.6457E+06 1.0624E+00 4.6457E+06 1.2622E+00 1.
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