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{"sheet":"CurTiPot","index":0,"n_rows":51,"n_cols":39,"rows_kept":51,"cut":false,"hidden":false,"merged":[]}
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"CurTiPot main features and uses"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"•  pH calculation of aqueous solutions with activity coefficient and buffer capacity estimation (mixtures of up to seven hexaprotic systems)"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"•  Virtual Titration with indicator color transition simulation, manual titrant addition with a digital burette, species distribution and pH vs. volume plot"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"•  Simulation of simple and complex acid-base titration curves"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"    »  automatic generation of curves with data equally spaced in pH or volume, in concentration (\"pH\") or activity (pH)"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"    »  simulation of experimental random errors in pH and volume; overlay of multiple curves for comparison"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"•  Data analysis of real and simulated curves of acid-base titrations"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"    »  Evaluation of curves with enhanced accuracy by interpolation, spline smoothing and automatic endpoint detection"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"    »  Non-linear data Regression for the determination of concentrations and refinement of pKa values"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"•  Distribution diagrams of species, protonation of bases, isoelectric point and buffer capacity vs. pH and vs. volume of a titration"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"•  Database with equilibrium constants (pKa) of 250 acid-base systems including amino acids and some indicators (expandable by the user) "]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"No installation needed. Download the latest release of CurTiPot from www.iq.usp.br/gutz/Curtipot_.html and open the file with Microsoft Excel® "]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Before using the program, make sure you agree with all the terms of the License reproduced at the end of this page (cells B50 to O100)"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"If you agree with all terms of the License, enable macros and use CurTiPot freely for non-commercial purposes"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"To enable the execution of macro-instructions in MS Excel follow instructions at the right   ------->               ------->               ------->               ------->               ------->               ------->              ",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"How to enable Excel files with macros and use CurTiPot"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"The Solver supplement is required only by the Regression module. Follow activation instructions given in the cell I19 of the module",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Excel and Office for Windows"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"1. Download CurTiPot from the author's website to the folder of your preference"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"The author reserves the right not to be responsible for the correctness, completeness, accuracy and bug-free operation of the freeware CurTiPot, provided \"as is\" without warranty of any kind",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"2. Open the folder and right-click on the file curtipot_i.xlsm"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Activity coefficient calculations, available in the pH_calc, Simulation and Regression modules, are subject to the limitations of the Daniel equation at ionic strength >0.1 mol/L",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"3. Select \"Properties\" in the pop-up window"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"CurTiPot only considers protonation equilibria in water, ignoring other equilibria, interactions and reactions, for example, oxidtion/reduction between two or more acid-base systems present",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"4. Check the \"unlock\" key (usually near the bottom right corner)"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Please report errors and incompatibilities of CurTiPot for MS Excel  (PC and Mac)  to the author;",null,null,null,null,null,null,null,null,null,null,"Use the e-mail: ","gutz@iq.usp.br",null,null,null,null,null,null,null,null,"5. Click OK"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Due to the wide range of screen resolutions in use nowadays, some resizing/replacement of figures and objects may be required",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"6. Double click the curtipot_i.xlsm file to open it"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"7. Select \"Enable content\""]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Enable macros (see cell R16 above); click on a tab at the bottom left of this page or press Ctrl + PgDn switch modules; follow instructions in the yellow balloons",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"8. Read the front page of CurTiPot "]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Titration could be a nice start for beginners; pH_calc has too much stuff to grasp at once, but the pH is highlighted in the dark blue cell H23;",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"9. Use the program"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Read local instructions in comment boxes by placing the mouse on cells with red marks (like in Q14 and Q34 at this page);",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"10. Save your data, settings and results as Curtipot_anyname.xlsm"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Switch to the Simulation module and repeat the preloaded titration of phosphoric acid; start clicking on the buttons at the left of the figure; change some concentrations afterwards;",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"11.  All macros are fully removed when closing the file"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Find endpoints of your real or simulated curves with Evaluation and save them in +Eva. There are buttons to transfer data from Simulation do Evaluation and vice-versa;"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Play with the Distribution module and enjoy the Graphs before you try curve modeling with the less simple but more powerful Regression module to fit concentrations and pKas;",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Older Office for Windows versions"]
[" "," "," "," "," "," "," "," "," "," "," "," "," "," "," "," ",null,"Save your data, settings and results in Curtipot_anyname.xlsm files to preserve the original software (optionally deleting unused spreadsheets, with exception of this first one).",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"1. Open a new blank Excel spreadsheet "]
[" "," "," "," "," "," "," "," "," "," "," ",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"2. Click on the File tab (or the Office button, in Windows XP)(top left corner)"]
[" ",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"The software CurTiPot, version 1.0 for DOS (Borland Turbo Basic and Microsoft Disk Operating System), was created in 1991 and launched in 1992.",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"3. Click on \"Options\" (bottom left)"]
[" "," ",null,"Dr. Ivano Gebhardt Rolf Gutz -  Full Professor (since 1992)",null,null,null,null,null,null,null,null,null,null,null,null,null,"Read more about the name, origins and customers of CurTiPot in cells R54 to AD79",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"4. Click on \"Trust Center\" (bottom left)"]
[" "," ",null,"Instituto de Química - Universidade de São Paulo, São Paulo, SP, Brazil",null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 2, improved and adapted for titrations with coulometric generation of reactants, was released in 1992.",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"5. Click on \"Trust Center Settings\" (bottom right)"]
[" "," ",null,"Honored as a Commander of the National Order of Scientific Merit, Brazil, 2007",null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 3.0 for Excel, an evolution of the DOS version with added Regression module was released in 2006 (in Portuguese).",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"6. Click on \"Macro Settings\""]
[" "," ",null,"Elected Member of the Brazilian Academy of Sciences, 2008",null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 3.1 was the first release translated to English, launched on the internet in May 1st, 2006.",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"7. Click on \"Disable macros with notification\""]
[" "," ",null,"Elected Member Academy of Sciences of the State of São Paulo, 2007",null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 3.2, released in December 2006, includes a separate pH_calc module with activity coefficient estimation.",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"8. Click OK; follow steps 1 to 8 only once on each computer"]
[null,null,null,"Fellow of the International Union of Pure and Applied Chemistry, 2002",null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 3.3, January 2008, has a friendlier interface with the Database and includes logarithmic distribution diagram generation overlaid on the titration curve.",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"9. Open the CurTiPot file"]
[null,null,null,"Research interests, CV, publications, see: https://www.iq.usp.br/gutz and",null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 3.4, October 2008, extends Ionic strength and activity coefficient calculations to the Regression module (formerly available only in pH_calc).",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"10. When the \"Security warning\" shows up, click on it to enable content"]
[null,null,null,"https://scholar.google.com.br/citations?user=qXFK1_YAAAAJ&hl=pt-BR",null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 3.5, Jan/Feb 2010, calculates Buffer Capacity (BC) and medium charge (zm) (pH_calc module) and plots BC and zm and finds the isoelectric point (Distribution module).",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"11. Follow the steps 8 to 11 above"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 3.6, March 2012 - Inflections (endpoints) of real and simulated titrations are located automatically by the improved Evaluation module, with smoothing and interpolation. "]
[null,"In a survey of 21 free buffer calculators and Apps, the use of CurTiPot",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 4.0, January 2014 - Titration module for students introduced, embracing visual and instrumental end point detection; activity calculation extended to Simulation module."]
[null,"was encouraged over all other for rigorous pH calculations with confidence",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 4.1, February 2014 - Titration module now imports Indicator colors from Database; Distribution, Evaluation and Analysis modules import data also from Titration."]
[null,"C. A. Lucy, J. Chem. Educ. 2023, 100, 2418−2422, https://doi.org/10.1021/acs.jchemed.2c01203",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Versions 4.1.1 to 4.1.3, January 2015 minor corrections and improved comments on ionic strength calculations."]
[null,"People from 100+ countries, including 200+ universities and 100+ companies,",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 4.2.0, February 2015 - Extended data weighting options in Regression; ionic strength effect correction added to Distribution."]
[null,"downloaded over 200 thousand copies of CurTipot (as tracked by Google Analytics)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 4.2.2, September 2015 - Cells to fill with concentrations of bases protoneted to neutrality are now underlined in green."]
[null,"CurTiPot was used and cited in 300+ papers and thesis",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 4.2.3. March 2016 - Indicator colors are loaded in Titration (function unavailable in v. 4.2.2)."]
[null,"http://scholar.google.com/scholar?hl=en-USR&as_sdt=0,5&q=curtipot",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 4.3.0, January 2018 - Marker added for (reversible) rejection of outliers in Regression module; Real data loading added to Simulation for interactive curve fitting."]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 4.3.1, May 2021 - Modules for users' results saving added ( +pH, +Eva and +Reg); Regression/Simulation data exchange implemented; some instructions/notes were improved."]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Version 4.4.0, January/2024 - batch processing of pH calculations and other parameters introduced to deal with (long) lists of solutions of different composition"]

{"sheet":"   pH_calc   ","index":1,"n_rows":161,"n_cols":33,"rows_kept":161,"cut":false,"hidden":false,"merged":[]}
[null,"             pH Calculator",null,null,null,null,null,"<--- read comment",null,null," pKas of the acids and bases in the solution",null,null,"Click on K2 to Q2; select acids/bases; click on J2; read M1",null,null,null," Overall protonation constants = bp = SKp (calculated by the program)",null,null,null,null,null,null,null,"       pKas loaded from the Database "]
["  Solution composition - reagents added, in mol/L",null,null,null,null," Fill out concentrations; Enter; Click button B18.",null,null,null,null,8,1,6,3,7,2,5,"             pKa(n) = -log Kd(HB-->B) = log Kp(1)",null,null,null,null,null,null,null,null,null,"Click on J2 to use these pKas in the pH calculation"]
["Acid / Base\nProtonation",{"$f":"K3","v":"Phosphoric acid"},{"$f":"L3","v":"Acetic acid"},"HCl","Carbonic acid","Hydroxide ion","Ammonia","EDTA",null,"Acid / Base","Phosphoric acid","Acetic acid","HCl","Carbonic acid","Hydroxide ion","Ammonia","EDTA","Acid / Base",{"$f":"K3","v":"Phosphoric acid"},{"$f":"L3","v":"Acetic acid"},"HCl","Carbonic acid","Hydroxide ion","Ammonia","EDTA","Acid / Base",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,2))","v":"Phosphoric acid"},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,2))","v":"Acetic acid"},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,2))","v":"HCl"},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,2))","v":"Carbonic acid"},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,2))","v":"Hydroxide ion"},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,2))","v":"Ammonia"},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,2))","v":"EDTA"}]
["[B]",null,null,null,null,null,null,null,null,"Charge of B",-3,-1,-1,-2,-1,0,-4,"Charge of B",{"$f":"IF(K4=\"\",\"\",K4)","v":-3},{"$f":"IF(L4=\"\",\"\",L4)","v":-1},-1,-2,-1,0,-4,"Charge of  B",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,3))","v":-3},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,3))","v":-1},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,3))","v":-1},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,3))","v":-2},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,3))","v":-1},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,3))","v":0},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,3))","v":-4}]
["[HB]",2.6499999999999999E-2,null,null,null,null,null,null,null,"pKa1",2.1480000000000001,4.7569999999999997,-7,6.3520000000000003,13.997,9.2439999999999998,-0.21,"bp1",{"$f":"IF(K5=\"\",\"\",IF(K6=\"\",10^K5,(IF(K7=\"\",10^K6,(IF(K8=\"\",10^K7,(IF(K9=\"\",10^K8,(IF(K10=\"\",10^K9,10^K10))))))))))","v":2238721138568.3457},57147.863667186728,9.9999999999999995E-8,21330449131.465843,99311604842093.641,1753880501.8417609,107151930523.76077,"pKa1 = logKpn",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,4))","v":2.1480000000000001},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,4))","v":4.7569999999999997},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,4))","v":-7},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,4))","v":6.3520000000000003},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,4))","v":13.997},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,4))","v":9.2439999999999998},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,4))","v":-0.21}]
["[H2B]",0.02,null,null,null,null,null,null,null,"pKa2",7.1989999999999998,"","",10.329000000000001,"","",1.5,"bp2",{"$f":"IF(K6=\"\",\"\",IF(K7=\"\",S5*10^K5,(IF(K8=\"\",S5*10^K6,(IF(K9=\"\",S5*10^K7,(IF(K10=\"\",S5*10^K8,S5*10^K9))))))))","v":3.539973410834362E+19},"","",4.7973344863669224E+16,"","",6.0255958607435917E+17,"pKa2 = logKpn-1",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,5))","v":7.1989999999999998},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,5))","v":10.329000000000001},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,5))","v":1.5}]
["[H3B]",null,null,null,null,null,null,null,null,"pKa3",12.35,"","","","","",2.21,"bp3",{"$f":"IF(K7=\"\",\"\",IF(K8=\"\",S6*10^K5,(IF(K9=\"\",S6*10^K6,(IF(K10=\"\",S6*10^K7,S6*10^K8))))))","v":4.9773708497893867E+21},"","","","","",7.7624711662869401E+20,"pKa3 = logKpn-2",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,6))","v":12.35},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,6))","v":2.21}]
["[H4B]",null,null,null,null,null,null,null,null,"pKa4","","","","","","",3.11,"bp4",{"$f":"IF(K8=\"\",\"\",IF(K9=\"\",S7*10^K5,(IF(K10=\"\",S7*10^K6,S7*10^K7))))","v":""},"","","","","",1.2589254117941712E+23,"pKa4 = logKpn-3",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,7))","v":3.11}]
["[H5B]",null,null,null,null,null,null,null,null,"pKa5","","","","","","",6.75,"bp5",{"$f":"IF(K9=\"\",\"\",IF(K10=\"\",S8*10^K5,S8*10^K6))","v":""},"","","","","",3.9810717055349867E+24,"pKa5 = logKpn-4",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,8))","v":6.75}]
["[H6B]",null,null,null,null,null,null,null,"SS","pKa6","","","","","","",11.03,"bp6",{"$f":"IF(K10=\"\",\"\",S9*10^K5)","v":""},"","","","","",2.4547089156850394E+24,"pKa6 = logKpn-5",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,9))","v":11.03}]
["S[HiB]",{"$f":"SUM(B4:B10)","v":4.65E-2},{"$f":"SUM(C4:C10)","v":0},0,0,0,0,0,{"$f":"SUM(B11:H11)","v":4.65E-2},"Electrolyte","Na+","K+","Ca++","Cl-","NO3-","SO4=","ClO4-","Kw",{"$f":"10^-K13","v":1.0069316688518014E-14},null,null,null,null,null,null,"Temperature",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,10)=\"\",\"unknown\",VLOOKUP(K$2,Database!$B$22:$N$301,10))","v":25},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,10)=\"\",\"unknown\",VLOOKUP(L$2,Database!$B$22:$N$301,10))","v":25},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,10)=\"\",\"unknown\",VLOOKUP(M$2,Database!$B$22:$N$301,10))","v":25},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,10)=\"\",\"unknown\",VLOOKUP(N$2,Database!$B$22:$N$301,10))","v":25},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,10)=\"\",\"unknown\",VLOOKUP(O$2,Database!$B$22:$N$301,10))","v":25},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,10)=\"\",\"unknown\",VLOOKUP(P$2,Database!$B$22:$N$301,10))","v":25},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,10)=\"\",\"unknown\",VLOOKUP(Q$2,Database!$B$22:$N$301,10))","v":25}]
["S[H]",{"$f":"B5+2*B6+3*B7+4*B8+5*B9+6*B10","v":6.6500000000000004E-2},{"$f":"C5+2*C6+3*C7+4*C8+5*C9+6*C10","v":0},{"$f":"D5+2*D6+3*D7+4*D8+5*D9+6*D10","v":0},0,{"$f":"F5+2*F6+3*F7+4*F8+5*F9+6*F10","v":0},0,0,{"$f":"SUM(B12:H12)","v":6.6500000000000004E-2},"Ion charge",1,1,2,-1,-1,-2,-1,null,null,null,null,null,null,null,null,"Ionic strength",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,11)=\"\",\"unknown\",VLOOKUP(K$2,Database!$B$22:$N$301,11))","v":0},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,11)=\"\",\"unknown\",VLOOKUP(L$2,Database!$B$22:$N$301,11))","v":0},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,11)=\"\",\"unknown\",VLOOKUP(M$2,Database!$B$22:$N$301,11))","v":0},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,11)=\"\",\"unknown\",VLOOKUP(N$2,Database!$B$22:$N$301,11))","v":0},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,11)=\"\",\"unknown\",VLOOKUP(O$2,Database!$B$22:$N$301,11))","v":0},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,11)=\"\",\"unknown\",VLOOKUP(P$2,Database!$B$22:$N$301,11))","v":0},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,11)=\"\",\"unknown\",VLOOKUP(Q$2,Database!$B$22:$N$301,11))","v":0}]
["SziCi",{"$f":"K4*B4+(K4+1)*B5+(K4+2)*B6+(K4+3)*B7+(K4+4)*B8+(K4+5)*B9+(K4+6)*B10","v":-7.2999999999999995E-2},0,{"$f":"M4*D4+(M4+1)*D5+(M4+2)*D6+(M4+3)*D7+(M4+4)*D8+(M4+5)*D9+(M4+6)*D10","v":0},0,{"$f":"O4*F4+(O4+1)*F5+(O4+2)*F6+(O4+3)*F7+(O4+4)*F8+(O4+5)*F9+(O4+6)*F10","v":0},0,0,{"$f":"SUM(B13:H13)","v":-7.2999999999999995E-2},"pKw",13.997]
["Electrolyte",{"$f":"K11","v":"Na+"},{"$f":"L11","v":"K+"},"Ca++","Cl-","NO3-","SO4=","ClO4-",null," Davies equation parameters",null,null,null,"Color  coding"]
["Ci (mol/L)",7.2999999999999995E-2,null,null,0,null,null,null,null," for activity coefficient estimation",null,null,null,"D  o     n  o  t     c  h  a  n  g  e "]
["ziCi",{"$f":"B15*K12","v":7.2999999999999995E-2},0,0,0,0,0,0,{"$f":"SUM(B16:H16)","v":7.2999999999999995E-2},"A ",0.50900000000000001,null,null," C h a n g e   c r i t e r i o u s l y"]
["Charge Balance",{"$f":"IF(I17=0,\"OK\", \"WARNING\")","v":"OK"},{"$f":"IF(I17<0,\"Add cations/Remove anions\", \"\")","v":""},null,{"$f":"IF(I17>0,\"Add anions/Remove cations\", \"\")","v":""},null,null,{"$f":"IF(I17=0,\"\",\"Unbalance\")","v":""},{"$f":"I13+I16","v":0},"b",0.3,null,null,"Fill out, change or leave blank"]
[]
[]
[]
[]
["  Results at chemical equilibrium",null,null,null,null,null,null,null,null,"   Stepwise apparent constants recalculated for I ",null,null,{"$f":"E26","v":9.9500751631900794E-2},null,null,null,null,"    Overall apparent protonation constants recalculated for I",null,null,null,null,{"$f":"$E$26","v":9.9500751631900794E-2},null,null,null,"How to enable Excel files with macros and use CurTiPot"]
["pH",7.0006187684125587,"a H+",9.9857625749919981E-8,"a OH-",1.0083660217604355E-7,"pOH",6.9963817968815158,null,"Acid / Base",{"$f":"K3","v":"Phosphoric acid"},{"$f":"L3","v":"Acetic acid"},"HCl","Carbonic acid","Hydroxide ion","Ammonia","EDTA","Acid / Base",{"$f":"K3","v":"Phosphoric acid"},{"$f":"L3","v":"Acetic acid"},"HCl","Carbonic acid","Hydroxide ion","Ammonia","EDTA",null,"Office for Windows"]
["p[H]",6.8937560664612372,"[H+]",1.2771559574483629E-7,"[OH-]",1.2896768525251226E-7,"p[OH]",6.8895190949301943,null,"Charge of B",{"$f":"K4","v":-3},-1,-1,-2,-1,0,-4,"Charge of B",{"$f":"K4","v":-3},-1,-1,-2,-1,0,-4,null,"1. Download CurTiPot from the author's website to the folder of your preference"]
["\"pH\"",7.3212041687220335,"\"[H+]\"",4.7730483233537674E-8,"\"[OH-]\"",2.1096169365511593E-7,"\"pOH\"",6.6757963965720428,null,"pK'an = logK'p1",11.708824287069081,4.5432747882173761,-7.2137256866102613,9.9015496093499973,13.783275161391431,9.2440003733356022,10.175098829855859,"b'p1",511474297107.32587,34936.114697246194,6.1132844616387423E-8,7971668116.1916504,60712009074157.805,1753880501.8417609,14965747683.434774,null,"2. Open the folder and right-click on the file curtipot_i.xlsm"]
["g H+",0.78187495558041398,"    Ionic strength (mol/L)     ",null,9.9500751631900794E-2,null,"g OH-",0.78187495558041398,null,"pK'an-1 = logK'p2",6.7715494829393048,null,null,6.1382748526343276,null,null,6.1088240609029878,"b'p2",3.0225467276524339E+18,null,null,1.0960334639857812E+16,null,null,1.9227474015170404E+16,null,"3. Select \"Properties\" in the pop-up window"]
["   Buffer Capacity (Buffer Index, DC/DpH)",null,null,"mol.L-1.pH-1",2.6247987914089322E-2,"     Buffer Strength",null,1.139935677253579E-2,null,"pK'an-2 = logK'p3",1.9342746828482089,null,null,null,null,null,2.6825493177976694,"b'p3",2.5980507386339344E+20,null,null,null,null,null,9.2570251268758241E+18,null,"4. Check the \"unlock\" key (usually near the bottom right corner)"]
[" Mean charge (zm) and mean protonation (hm) of the equilibrium HiB  species at pH",null,null,null,null,null,{"$f":"B23","v":7.0006187684125587},null,null,"pK'an-3 = logK'p4",null,null,null,null,null,null,1.9962746853521902,"b'p4",null,null,null,null,null,null,9.1779576056055202E+20,null,"5. Click OK"]
["Acid / Base",{"$f":"K3","v":"Phosphoric acid"},"Acetic acid","HCl","Carbonic acid","Hydroxide ion","Ammonia","EDTA",null,"pK'an-4 = logK'p5",null,null,null,null,null,null,1.500000060580204,"b'p5",null,null,null,null,null,null,2.9023250302178821E+22,null,"6. Double click the curtipot_i.xlsm file to open it"]
["zm",-1.569892445341402,-0.99555793329678188,-0.99999999999999223,-0.85159071312404988,-1.2896783396776357E-7,0.99555551393853325,-2.8595405669276062,null,"pK'an-5 = logK'p6",null,null,null,null,null,null,3.725395421414722E-3,"b'p6",null,null,null,null,null,null,2.9273283758336799E+22,null,"7. Select \"Enable content\""]
["hm",1.430107554658598,4.4420667032181579E-3,7.8076176697583672E-15,1.1484092868759501,0.99999987103216603,0.99555551393853325,1.1404594330723938,null,"pK'w",13.783275161391431,null,null,null,null,null,null,"K'w",1.6471205866017897E-14,null,null,null,null,null,null,null,"8. Read the front page of CurTiPot "]
[" Equilibrium concentration of species, in mol/L",null,null,null,null,null,null,null,null," Activity coefficient (g) of species",null,null,null,"for pH ",{"$f":"B23","v":7.0006187684125587},"and I ",{"$f":"E26","v":9.9500751631900794E-2},null,null,null,null,null,null,null,null,null,"9. Use the program"]
["Acid / Base protonation",{"$f":"K3","v":"Phosphoric acid"},"Acetic acid","HCl","Carbonic acid","Hydroxide ion","Ammonia","EDTA","[H+]","Acid / Base  protonation",{"$f":"K3","v":"Phosphoric acid"},"Acetic acid","HCl","Carbonic acid","Hydroxide ion","Ammonia","EDTA",null,null,null,null,null,null,null,null,null,"10. Save your data, settings and results as Curtipot_anyname.xlsm"]
["[B]",4.0566581025196753E-7,null,null,null,null,null,null,{"$f":"D24","v":1.2771559574483629E-7},"g B",0.10920328964692329,0.78187495558041398,0.78187495558041398,0.37372246908913692,0.78187495558041398,1,1.9507285395505836E-2,null,null,null,null,null,null,null,null,null,"11.  All macros are fully removed when closing the file"]
["[HB]",2.649940693403156E-2,null,null,null,null,null,null,null,"g HB",0.37372246908913692,1,1,0.78187495558041398,1,0.78187495558041398,0.10920328964692329]
["[H2B]",1.9999967842881328E-2,null,null,null,null,null,null,"[OH-]","g H2B",0.78187495558041398,null,null,1,null,null,0.37372246908913692,null,null,null,null,null,null,null,null,null,"Former Office and Excel version"]
["[H3B]",2.1955727686129842E-7,null,null,null,null,null,null,{"$f":"F24","v":1.2896768525251226E-7},"g H3B",1,null,null,null,null,null,0.78187495558041398,null,null,null,null,null,null,null,null,null,"1. Open a new blank Excel spreadsheet "]
["[H4B]",null,null,null,null,null,null,null,null,"g H4B",null,null,null,null,null,null,1,null,null,null,null,null,null,null,null,null,"2. Click on the File tab (or the Office button, in Windows XP)(top left corner)"]
["[H5B]",null,null,null,null,null,null,null,null,"g H5B",null,null,null,null,null,null,0.78187495558041398,null,null,null,null,null,null,null,null,null,"3. Click on \"Options\" (bottom left)"]
["[H6B]",null,null,null,null,null,null,null,"SS","g H6B",null,null,null,null,null,null,0.37372246908913692,null,null,null,null,null,null,null,null,null,"4. Click on \"Trust Center\" (bottom left)"]
["S[HiB]",{"$f":"B34+B35+B36+B37+B38+B39+B40","v":4.65E-2},{"$f":"C34+C35+C36+C37+C38+C39+C40","v":0},0,0,0,0,0,{"$f":"SUM(B41:H41)","v":4.65E-2},null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"5. Click on \"Trust Center Settings\" (bottom right)"]
[" Species distribution (fractional composition, in %)",null,null,null,"for pH",{"$f":"B23","v":7.0006187684125587},"or p[H]=",{"$f":"$B$24","v":6.8937560664612372},null,"Electrolyte",{"$f":"K11","v":"Na+"},"K+","Ca++","Cl-","NO3-","SO4=","ClO4-",null,null,null,null,null,null,null,null,null,"6. Click on \"Macro Settings\""]
["Acid / Base protonation",{"$f":"K3","v":"Phosphoric acid"},"Acetic acid","HCl","Carbonic acid","Hydroxide ion","Ammonia","EDTA",null,"gi",0.78187495558041398,0.78187495558041398,0.37372246908913692,0.78187495558041398,0.78187495558041398,0.37372246908913692,0.78187495558041398,null,null,null,null,null,null,null,null,null,"7. Click on \"Disable macros with notification\""]
["% B",8.7239959193971517E-4,99.555793329678181,99.999999999999218,8.3480582132646336E-2,1.2896783392585873E-5,0.44444860614667686,4.4923564218738013E-2,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"8. Click OK; follow steps 1 to 8 only once on each computer"]
["% HB",56.98797190114314,0.44420667032181577,7.8076176697583674E-13,84.992110148139702,99.999987103216597,99.555551393853321,85.865075904483774,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"9. Open the CurTiPot file"]
["% H2B",43.010683533078122,null,null,14.924409269727654,null,null,14.089134202106679,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"10. When the \"Security warning\" shows up, click on it to enable content"]
["% H3B",4.7216618679849122E-4,null,null,null,null,null,8.6631822104069815E-4,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"11. Follow the steps 8 to 11 above"]
["% H4B",null,null,null,null,null,null,1.0969731233323473E-8]
["% H5B",null,null,null,null,null,null,4.4303692154282471E-14,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Old versions of Office and Excel: "]
["% H6B",null,null,null,null,null,null,5.7070180944934333E-21,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"1. Open a new blank Excel spreadsheet "]
["% S[HiB]",{"$f":"B44+B45+B46+B47+B48+B49+B50","v":100},{"$f":"C44+C45+C46+C47+C48+C49+C50","v":100},100,100,99.999999999999986,100,100,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"2. Click on the \"Tools\" tab"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"3. Select \"Macro\""]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"4. Select \"Security\""]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"5. Select \"Security level\""]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"6. Select \"Medium\""]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"7. Open the CurTiPot file and enable the content"]
[null,"Batch pH Calculator"]
["Sample ID","  Species added to the solution, in mol/L",null,null,null,null,null,"Calculated pH and other parameters"]
["Cell ID .","B5","B6","D5","G4","E6",null,"B23","E26","K35","K36","B45","E27"]
["Species .","HPO4=","H2PO4-","HCl","NH4OH","CO2","log (HB/H2B)","pH","I","g HPO4=","g H2PO4-","% HPO4=","buff. cap."]
["mix. ratio 1",0.01,0.04,null,null,null,{"$f":"LOG10(B61/C61)","v":-0.6020599913279624},6.2936061420633633,8.3003553082661399E-2,0.39383748975787858,0.79218983175513413,20.005653138797719,1.843363257800508E-2]
[2,{"$f":"B61+0.001","v":1.0999999999999999E-2},{"$f":"C61-0.001","v":3.9E-2},null,null,null,-0.54967192186827418,6.3448296532594348,8.4003110798025638E-2,0.39247151570866196,0.79150203471330238,22.004869381950932,1.9767454485428524E-2]
[3,{"$f":"B62+0.001","v":1.2E-2},{"$f":"C62-0.001","v":3.7999999999999999E-2},null,null,null,-0.50060235056918523,6.3927559133775702,8.5002745372725397E-2,0.39112656605138996,0.79082306751931808,24.004210094918911,2.1009474711239887E-2]
[4,1.3000000000000001E-2,3.6999999999999998E-2,null,null,null,-0.45425837176015815,6.4379753138848006,8.6002439385612528E-2,0.38980217629745922,0.79015276626011177,26.003645320516195,2.2159625473890235E-2]
[5,1.4000000000000002E-2,3.5999999999999997E-2,null,null,null,-0.41017446508904915,6.4809516421812887,8.70021804041822E-2,0.38849789035047894,0.78949096850981793,28.003153500308713,2.3217858495545585E-2]
[6,1.5000000000000003E-2,3.4999999999999996E-2,null,null,null,-0.36797678529459427,6.5220574919636967,8.800195930447019E-2,0.38721326250738364,0.78883751443577454,30.00271861887861,2.4184138515582692E-2]
[7,1.6000000000000004E-2,3.3999999999999996E-2,null,null,null,-0.32735893438633018,6.5615983202731867,8.9001769293751989E-2,0.38594785838479717,0.78819224736964355,32.002328539417498,2.5058439299339749E-2]
[8,1.7000000000000005E-2,3.2999999999999995E-2,null,null,null,-0.28806501849961336,6.5998292851203946,9.0001605206344773E-2,0.38470125540936823,0.78755501416070983,34.001973795092212,2.5840740988791862E-2]
[9,1.8000000000000006E-2,3.1999999999999994E-2,null,null,null,-0.24987747321659964,6.6369673562728648,9.100146310407356E-2,0.38347304287638256,0.78692566530959485,36.001646881216956,2.6531028385410858E-2]
[10,1.9000000000000006E-2,3.0999999999999993E-2,null,null,null,-0.21260809288144347,6.673200243526666,9.2001339920416883E-2,0.38226282193322625,0.786304055061958,38.001341701079014,2.7129289747243997E-2]
[11,2.0000000000000007E-2,2.9999999999999992E-2,null,null,null,-0.17609125905568099,6.7086931323578582,9.3001233001230907E-2,0.38107020566931438,0.78569004155516076,40.00105273087086,2.7635515854186225E-2]
[12,2.1000000000000008E-2,2.8999999999999991E-2,null,null,null,-0.14017870316503647,6.7435939217343854,9.4001140609828338E-2,0.37989481805561276,0.78508348636944358,42.000775839210789,2.8049699728525741E-2]
[13,2.2000000000000009E-2,2.799999999999999E-2,null,null,null,-0.10473535052001262,6.778037350223113,9.5001061298464556E-2,0.37873629426196154,0.78448425478324935,44.00050716378724,2.8371835942893917E-2]
[14,2.300000000000001E-2,2.6999999999999989E-2,null,null,null,-6.9635928141394091E-2,6.8121483783649541,9.6000993708436802E-2,0.37759428044592147,0.78389221575490553,46.000242914272413,2.8601920380946461E-2]
[15,2.4000000000000011E-2,2.5999999999999988E-2,null,null,null,-3.4762106259211549E-2,6.8450832331827538,9.8000939196849116E-2,0.3753583640843009,0.78272917977619805,47.999980882814938,2.8739955631235516E-2]
[16,2.5000000000000012E-2,2.4999999999999988E-2,null,null,null,3.8573098662131469E-16,6.8779491359623215,0.10000089475956316,0.37318452516162931,0.78159344179321244,49.999716143249366,2.8785933565184114E-2]
[17,2.6000000000000013E-2,2.3999999999999987E-2,null,null,null,3.4762106259212354E-2,6.9108563406756716,0.10200085954814506,0.37107027770429574,0.78048406812188764,51.999444900634096,2.8739853392199331E-2]
[18,2.7000000000000014E-2,2.2999999999999986E-2,null,null,null,6.9635928141394882E-2,6.9439151903412428,0.10400083376812447,0.36901327614363427,0.7794001729158172,53.999164387936752,2.8601715177749131E-2]
[19,2.8000000000000014E-2,2.1999999999999985E-2,null,null,null,0.10473535052001351,6.977238247712422,0.10600081731503497,0.36701130641748086,0.77834091559470708,55.998870956670501,2.837151983594962E-2]
[20,2.9000000000000015E-2,2.0999999999999984E-2,null,null,null,0.14017870316503736,7.0109425671711456,0.10800080997692327,0.36506227626946802,0.77730549765764656,57.998560249337885,2.8049269276226654E-2]
[21,3.0000000000000016E-2,1.9999999999999983E-2,null,null,null,0.17609125905568182,7.045152205025345,0.1100008124038066,0.36316420570000241,0.77629315938754651,59.998228277317509,2.7634966302633637E-2]
[22,3.1000000000000017E-2,1.8999999999999982E-2,null,null,null,0.21260809288144436,7.080001042644354,0.11200082498656047,0.36131522021452461,0.77530317787673864,61.997869730216017,2.7128614988338733E-2]
[23,3.2000000000000015E-2,1.7999999999999981E-2,null,null,null,0.24987747321660053,7.1156361802964883,0.11400084844342927,0.3595135430571979,0.77433486436881926,63.997478513820759,2.6530220807112207E-2]
[24,3.3000000000000015E-2,1.699999999999998E-2,null,null,null,0.28806501849961424,7.1522220783829971,0.11600088386351096,0.35775748860211498,0.77338756208240766,65.997047401149601,2.5839790952089586E-2]
[25,3.4000000000000016E-2,1.599999999999998E-2,null,null,null,0.32735893438633107,7.189945772923787,0.11800093266056222,0.35604545636687096,0.77246064424871463,67.996567435420332,2.5057334864971158E-2]
[26,3.5000000000000017E-2,1.4999999999999979E-2,null,null,null,0.36797678529459527,7.229023625557196,0.12000099669204013,0.35437592537205587,0.77155351222614188,69.996027568208106,2.4182864836737327E-2]
[27,3.6000000000000018E-2,1.3999999999999978E-2,null,null,null,0.41017446508905014,7.2697102521537635,0.12200107852583726,0.35274744883819825,0.77066559369659915,71.995413597767566,2.3216397083675667E-2]
[28,3.7000000000000019E-2,1.2999999999999977E-2,null,null,null,0.45425837176015921,7.3123106488284773,0.12400118163519676,0.35115864936935548,0.76979634103404482,73.994707336005064,2.2157953021417431E-2]
[29,3.800000000000002E-2,1.1999999999999976E-2,null,null,null,0.50060235056918645,7.357197028697029,0.12600131025954539,0.3496082147741954,0.76894522993840397,75.993884012475448,2.1007561872330421E-2]
[30,3.9000000000000021E-2,1.0999999999999975E-2,null,null,null,0.5496719218682754,7.4048329375343771,0.12800147106320345,0.3480948928529668,0.76811175742428195,77.992911045863877,1.9765263186527753E-2]
[31,4.0000000000000022E-2,9.9999999999999742E-3,null,null,null,0.60205999132796373,7.4558086834132817,0.1300016729117312,0.34661748803147097,0.76729544074922473,79.991742269774207,1.8431112972624328E-2]
["pH7 reference",2.6499999999999999E-2,0.02,0,null,null,null,7.0006187684125587,9.9500751631900794E-2,0.37372246908913692,0.78187495558041398,56.98797190114314,2.6247987914089322E-2]
["HCl add. 1",2.6499999999999999E-2,0.02,{"$f":"D92+0.001","v":1E-3},null,null,null,6.9636745977842249,9.8500767961440361E-2,0.37480935848937758,0.78244281437424501,54.837757686190102,2.6520255719215253E-2]
[2,2.6499999999999999E-2,0.02,{"$f":"D93+0.001","v":2E-3},null,null,null,6.9270582424009959,9.7500790421509387E-2,0.37591160223040754,0.78301743531024037,52.687522093170521,2.6693538907974258E-2]
[3,2.6499999999999999E-2,0.02,3.0000000000000001E-3,null,null,null,6.8906268497554173,9.6500830690573941E-2,0.37702950709139643,0.78359893140482639,50.537285804238365,2.6767835296374894E-2]
[4,2.6499999999999999E-2,0.02,4.0000000000000001E-3,null,null,null,6.8542409558175024,9.5500877394575481E-2,0.37816341516035851,0.78418743230581289,48.387036917835111,2.6743145666975495E-2]
[5,2.6499999999999999E-2,0.02,5.0000000000000001E-3,null,null,null,6.8177622416827761,9.4500935143182252E-2,0.37931366086422424,0.78478306183968538,46.236785156241375,2.6619470679663523E-2]
[6,2.6499999999999999E-2,0.02,6.0000000000000001E-3,null,null,null,6.7810499703782376,9.3501004677205443E-2,0.38048059340864182,0.78538594961491082,44.086534535548196,2.639681245300211E-2]
[7,2.6499999999999999E-2,0.02,7.0000000000000001E-3,null,null,null,6.7439578423192623,9.2501086864954965E-2,0.38166457276251825,0.78599622884452092,41.936288953757568,2.6075174301963173E-2]
[8,2.6499999999999999E-2,0.02,8.0000000000000002E-3,null,null,null,6.706330452787947,9.1501183342152195E-2,0.3828659693258547,0.78661403608755842,39.786053189981615,2.565456104697476E-2]
[9,2.6499999999999999E-2,0.02,9.0000000000000011E-3,null,null,null,6.6679991733858239,9.0501295902423409E-2,0.38408516508615287,0.78723951175415174,37.63583217180684,2.5134979183403877E-2]
[10,2.6499999999999999E-2,0.02,1.0000000000000002E-2,null,null,null,6.6287772160787695,8.9501426698640502E-2,0.38532255385179726,0.78787280012866856,35.485631319939003,2.4516437243760115E-2]
[11,2.6499999999999999E-2,0.02,1.1000000000000003E-2,null,null,null,6.5884534935616585,8.8501579328233784E-2,0.38657854036954414,0.78851404882036413,33.335458119418881,2.3798946779721674E-2]
[12,2.6499999999999999E-2,0.02,1.2000000000000004E-2,null,null,null,6.5467846331604473,8.7501757249206599E-2,0.38785354277231898,0.78916340991294476,31.185320142290923,2.298252247767266E-2]
[13,2.6499999999999999E-2,0.02,1.3000000000000005E-2,null,null,null,6.5034844782677048,8.6501965814426568E-2,0.38914799051434318,0.78982103880410037,29.035227928924023,2.2067184103624637E-2]
[14,2.6499999999999999E-2,0.02,1.4000000000000005E-2,null,null,null,6.4582096843886241,8.5502211882200529E-2,0.39046232530353497,0.79048709457581967,26.885194712819089,2.1052957985913265E-2]
[15,2.6499999999999999E-2,0.02,1.5000000000000006E-2,null,null,null,6.4105395390979032,8.4502504825254315E-2,0.39179700022097497,0.79116173944052559,24.735238145972126,1.9939879992092003E-2]
[16,2.6499999999999999E-2,0.02,1.6000000000000007E-2,null,null,null,6.3599467655677779,8.3502857628305699E-2,0.39315247861569019,0.79184513807908308,22.585382291705997,1.8727999952156904E-2]
[17,2.6499999999999999E-2,0.02,1.7000000000000008E-2,null,null,null,6.3057538873900709,8.250328885640118E-2,0.39452923166626935,0.79253745631629391,20.435661196005821,1.7417389041197349E-2]
[18,2.6499999999999999E-2,0.02,1.8000000000000009E-2,null,null,null,6.2470654688372775,8.150382555070293E-2,0.39592773438313017,0.79323885903330915,18.286124179525387,1.6008151884198123E-2]
[19,2.6499999999999999E-2,0.02,1.900000000000001E-2,null,null,null,6.1826581603697761,8.0504509459306442E-2,0.39734845643160632,0.79394950552408328,16.136846962408306,1.4500449304913607E-2]
[20,2.6499999999999999E-2,0.02,2.0000000000000011E-2,null,null,null,6.1107922512989337,7.9505407887979815E-2,0.39879184532617262,0.79466954112579891,13.987951298043916,1.2894540970361999E-2]
[21,2.6499999999999999E-2,0.02,2.1000000000000012E-2,null,null,null,6.0288662135330169,7.8506636920535444E-2,0.40025828967427451,0.79539907907757623,11.839646822028111,1.1190874845236915E-2]
[22,2.6499999999999999E-2,0.02,2.2000000000000013E-2,null,null,null,5.932725590900227,7.7508415198301719E-2,0.40174803284011162,0.79613815812603339,9.6923279844555559,9.3902947924946484E-3]
[23,2.6499999999999999E-2,0.02,2.3000000000000013E-2,null,null,null,5.8151072091051219,7.6511208728014465E-2,0.40326093885374531,0.79688662787093945,7.5468350659165022,7.4945996035418747E-3]
[24,2.6499999999999999E-2,0.02,2.4000000000000014E-2,null,null,null,5.6614885067595377,7.5516215741722584E-2,0.40479570616138966,0.79764376410965543,5.4053280615206942,5.5084146040096866E-3]
[25,2.6499999999999999E-2,0.02,2.5000000000000015E-2,null,null,null,5.4355900462654816,7.4527696658083301E-2,0.40634608463358096,0.79840641889373187,3.2754860134402075,3.4481868637868365E-3]
[26,2.6499999999999999E-2,0.02,2.6000000000000016E-2,null,null,null,4.9969114832944124,7.3577128703681438E-2,0.40786162949016602,0.79914983201136269,1.2140341265551353,1.4354405730686978E-3]
["pH7 reference",2.6499999999999999E-2,0.02,null,0,null,null,7.0006187684125587,9.9500751631900794E-2,0.37372246908913692,0.78187495558041398,56.98797190114314,2.6247987914089322E-2]
["ammonia add. 1",2.6499999999999999E-2,0.02,null,{"$f":"E119+0.001","v":1E-3},null,null,7.0369384635466696,0.101491100652709,0.37160363765125914,0.78076437536844978,59.127793089808023,2.5889823000154903E-2]
[2,2.6499999999999999E-2,0.02,null,{"$f":"E120+0.001","v":2E-3},null,null,7.0738893174195221,0.10347978415231597,0.36954379363689666,0.77968015111672773,61.265784667428235,2.5435976155649062E-2]
[3,2.6499999999999999E-2,0.02,null,3.0000000000000001E-3,null,null,7.1116369449582484,0.10546652302306185,0.36754086373266764,0.77862152908258031,63.401639318117951,2.4887103383688755E-2]
[4,2.6499999999999999E-2,0.02,null,4.0000000000000001E-3,null,null,7.1503645897459398,0.10745096990771819,0.36559294374656176,0.77758782351713218,65.53497439046599,2.4244017942012659E-2]
[5,2.6499999999999999E-2,0.02,null,5.0000000000000001E-3,null,null,7.1902786418764455,0.10943268797506549,0.36369830328672298,0.77657842141904554,67.665308530116491,2.3507739959686729E-2]
[6,2.6499999999999999E-2,0.02,null,6.0000000000000001E-3,null,null,7.2316156028146334,0.11141112243701104,0.36185539557139962,0.77559279000654191,69.792030900769802,2.2679564842321968E-2]
[7,2.6499999999999999E-2,0.02,null,7.0000000000000001E-3,null,null,7.2746509372052719,0.11338555687517944,0.36006287854090296,0.77463049029602393,71.914352659321182,2.176116208621303E-2]
[8,2.6499999999999999E-2,0.02,null,8.0000000000000002E-3,null,null,7.3197106779734842,0.11535505163995796,0.35831964763551899,0.77369119713210055,74.031239131144488,2.0754717913344E-2]
[9,2.6499999999999999E-2,0.02,null,9.0000000000000011E-3,null,null,7.367186843821985,0.11731835303926044,0.35662488773897677,0.77277472987238927,76.141310102473298,1.9663146086481075E-2]
[10,2.6499999999999999E-2,0.02,null,1.0000000000000002E-2,null,null,7.4175580885317496,0.11927375343444288,0.35497815742923838,0.77188110109685171,78.242685575985121,1.8490409066719882E-2]
[11,2.6499999999999999E-2,0.02,null,1.1000000000000003E-2,null,null,7.4714176717054768,0.12121887463245967,0.35337952237509601,0.77101059289778118,80.332747413650608,1.7242016881158301E-2]
[12,2.6499999999999999E-2,0.02,null,1.2000000000000004E-2,null,null,7.5295112252749767,0.12315032024234482,0.35182977268724636,0.77016388034021122,82.40775664103947,1.5925824989118532E-2]
[13,2.6499999999999999E-2,0.02,null,1.3000000000000005E-2,null,null,7.5927867747757407,0.12506310294968928,0.35033078345763929,0.76934223550661984,84.462222963112197,1.4553344945702894E-2]
[14,2.6499999999999999E-2,0.02,null,1.4000000000000005E-2,null,null,7.6624569692269286,0.12694967662312887,0.34888612509561229,0.76854787229088362,86.487839322902232,1.3141951220278024E-2]
[15,2.6499999999999999E-2,0.02,null,1.5000000000000006E-2,null,null,7.7400626466290836,0.12879827097346364,0.3475021110223474,0.76778453792105361,88.471648598016003,1.1718657686579134E-2]
[16,2.6499999999999999E-2,0.02,null,1.6000000000000007E-2,null,null,7.827490881918771,0.13059004290594789,0.34618957727687627,0.76705851813703152,90.392907987887256,1.0326527057016055E-2]
[17,2.6499999999999999E-2,0.02,null,1.7000000000000008E-2,null,null,7.9267973188348959,0.13229451553711499,0.34496668920300488,0.76638022515299242,92.218068262272979,9.0347864291585069E-3]
[18,2.6499999999999999E-2,0.02,null,1.8000000000000009E-2,null,null,8.0394562405181471,0.13386395013121585,0.34386225772103929,0.76576608430347937,93.89457894673096,7.9508595996560308E-3]
[19,2.6499999999999999E-2,0.02,null,1.900000000000001E-2,null,null,8.1644973785033201,0.13523271647778451,0.342915520759765,0.7652384538637873,95.350196557336886,7.2200201734441841E-3]
[20,2.6499999999999999E-2,0.02,null,2.0000000000000011E-2,null,null,8.2961147225185545,0.13633707527518013,0.34216262912830947,0.76481807584127903,96.514763405793232,6.97810481308453E-3]
[21,2.6499999999999999E-2,0.02,null,2.1000000000000012E-2,null,null,8.4244180586641644,0.13715741359316957,0.34160959847866579,0.76450884829403565,97.366701573222599,7.2564638022357946E-3]
[22,2.6499999999999999E-2,0.02,null,2.2000000000000013E-2,null,null,8.5409916103202512,0.13773543862578311,0.34122307289893916,0.76429249921208908,97.951936484383182,7.9498188726414322E-3]
[23,2.6499999999999999E-2,0.02,null,2.3000000000000013E-2,null,null,8.6426832214431588,0.13813990385397151,0.34095414128710133,0.76414186227793213,98.346163394381833,8.9000650821167097E-3]
[24,2.6499999999999999E-2,0.02,null,2.4000000000000014E-2,null,null,8.7302688795788708,0.13843027708233335,0.34076184431003087,0.7640340961294374,98.614851617204522,9.977951350886978E-3]
[25,2.6499999999999999E-2,0.02,null,2.5000000000000015E-2,null,null,8.8059303333568213,0.1386469686196809,0.34061876199061375,0.76395388102469131,98.802488777457881,1.1101472892493101E-2]
[26,2.6499999999999999E-2,0.02,null,2.6000000000000016E-2,null,null,8.8719052117203674,0.13881526096605859,0.3405078844666975,0.76389170325731304,98.936907952443093,1.2224099918395454E-2]
["pH7 reference",2.6499999999999999E-2,0.02,null,null,0,null,7.0006187684125587,9.9500751631900794E-2,0.37372246908913692,0.78187495558041398,56.98797190114314,2.6247987914089322E-2]
["CO2 absorp. 1",2.6499999999999999E-2,0.02,null,null,{"$f":"F146+0.001","v":1E-3},null,6.9694818581685807,9.8659433428352455E-2,0.3746358866827918,0.78235226478586217,55.177281208438714,2.6793549442460079E-2]
["from air 2",2.6499999999999999E-2,0.02,null,null,{"$f":"F147+0.001","v":2E-3},null,6.9392998386951295,9.7837305460522481E-2,0.37553893781982811,0.78282329972568365,53.408089824913908,2.7295330507938264E-2]
[3,2.6499999999999999E-2,0.02,null,null,3.0000000000000001E-3,null,6.9099949679403823,9.7034844183834151E-2,0.37643053594777642,0.7832875280435746,51.681388343671443,2.7757489106203018E-2]
[4,2.6499999999999999E-2,0.02,null,null,4.0000000000000001E-3,null,6.881501553902619,9.6252488895900989E-2,0.37730960961767279,0.78374442858370352,49.998092855597143,2.8184069236815358E-2]
[5,2.6499999999999999E-2,0.02,null,null,5.0000000000000001E-3,null,6.8537639789653282,9.5490635041949073E-2,0.37817511359473327,0.78419349691864126,48.359029732404224,2.857897788684953E-2]
[6,2.6499999999999999E-2,0.02,null,null,6.0000000000000001E-3,null,6.8267351009646626,9.4749628486008722E-2,0.37902603943258445,0.78463425053706559,46.764922356843478,2.8945962055561675E-2]
[7,2.6499999999999999E-2,0.02,null,null,7.0000000000000001E-3,null,6.8003749235316056,9.4029760041784038E-2,0.3798614262122994,0.78506623406192055,45.216378735986886,2.9288586792906066E-2]
[8,2.6499999999999999E-2,0.02,null,null,8.0000000000000002E-3,null,6.7746494828889068,9.3331260828604323E-2,0.380680370713535,0.78548902412546984,43.713880840804912,2.9610215014956056E-2]
[9,2.6499999999999999E-2,0.02,null,null,9.0000000000000011E-3,null,6.7495298837904762,9.265429767839177E-2,0.3814820378215984,0.78590223432424899,42.257774675620198,2.9913989729636537E-2]
[10,2.6499999999999999E-2,0.02,null,null,1.0000000000000002E-2,null,6.7249914980237593,9.1998970611245942E-2,0.38226566869069134,0.78630551898321777,40.848264121219607,3.0202819421187292E-2]
[11,2.6499999999999999E-2,0.02,null,null,1.1000000000000003E-2,null,6.7010132480794145,9.136531037807695E-2,0.38303058887317359,0.78669857688197276,39.4854056377769,3.0479366933363075E-2]
[12,2.6499999999999999E-2,0.02,null,null,1.2000000000000004E-2,null,6.6775769948451513,9.075327761427629E-2,0.38377621447311638,0.78708115395275025,38.169106155769278,3.0746042298837647E-2]
[13,2.6499999999999999E-2,0.02,null,null,1.3000000000000005E-2,null,6.6546670012266755,9.0162763039586966E-2,0.38450205685338634,0.78745304523628334,36.899123336654895,3.1004999646713809E-2]
[14,2.6499999999999999E-2,0.02,null,null,1.4000000000000005E-2,null,6.6322694655197196,8.9593588835074803E-2,0.3852077256193191,0.78781409596502516,35.675068386871196,3.1258138208074743E-2]
["pH7 reference",2.6499999999999999E-2,0.02,null,null,null,null,7.0006187684125587,9.9500751631900794E-2,0.37372246908913692,0.78187495558041398,56.98797190114314,2.6247987914089322E-2]

{"sheet":"+pH","index":2,"n_rows":4,"n_cols":3,"rows_kept":4,"cut":false,"hidden":false,"merged":[]}
[null,"           ","Compilation of data and results obtained with the pH_calc module"]
[]
[]
[null,"Identify the results and add observations (use any gray cell)"]

{"sheet":"Titration","index":3,"n_rows":81,"n_cols":39,"rows_kept":81,"cut":false,"hidden":false,"merged":[]}
[null,null,"Manual Virtual Titrator with visual indicator",null,null,null,null,"<--- read instructions",null,null," pKas of the acids and bases in the solution",null,null,"Click on K2 to Q2; select acids/bases; click on J2; read M1",null,null,null,null,null,null,"          Overall protonation constants = bp = PKp (calculated by the program)",null,null,null,null,null,null,"  pKa(n) = -log Kd(HB-->B) = log Kp(1)",null,null,null,"       pKas loaded from the Database "]
["     Sample (titrand) and titrant (standard) composition (all concentrations in mol/L)",null,null,null,null,null,null,null,null,null,6,3,1,264,2,7,103,null,"Titrant",null,null,"Titrand",null,null,null,null,null,null,"Titrant",null,null,null,"    Titrand","Click on J2 to use these pKas in the Simulation"]
["SAMPLE\nSpecies",{"$f":"K3","v":"HCl"},"Carbonic acid","Acetic acid","Phenol Red (pKa 7.7)","Ammonia","Hydroxide ion","Glycine","Total  Titrands","Acid / Base","HCl","Carbonic acid","Acetic acid","Phenol Red (pKa 7.7)","Ammonia","Hydroxide ion","Glycine","Strong ACID","Strong BASE","Carbonic ac.","Acid / Base",{"$f":"IF(K3=\"\",\"\",K3)","v":"HCl"},"Carbonic acid","Acetic acid","Phenol Red (pKa 7.7)","Ammonia","Hydroxide ion","Glycine",{"$f":"R3","v":"Strong ACID"},{"$f":"S3","v":"Strong BASE"},{"$f":"T3","v":"Carbonic ac."},"Acid / Base",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,2))","v":"HCl"},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,2))","v":"Carbonic acid"},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,2))","v":"Acetic acid"},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,2))","v":"Phenol Red (pKa 7.7)"},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,2))","v":"Ammonia"},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,2))","v":"Hydroxide ion"},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,2))","v":"Glycine"}]
["[B]",null,null,null,null,null,null,null,null,"Charge of B",-1,-2,-1,-2,0,-1,-1,-1,-1,-2,"Charge of B",-1,-2,-1,-2,0,-1,-1,{"$f":"IF(R4=\"\",\"\",R4)","v":-1},{"$f":"IF(S4=\"\",\"\",S4)","v":-1},{"$f":"IF(T4=\"\",\"\",T4)","v":-2},"Charge of  B",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,3))","v":-1},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,3))","v":-2},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,3))","v":-1},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,3))","v":-2},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,3))","v":0},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,3))","v":-1},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,3))","v":-1}]
["[HB]",null,null,0.1,null,null,null,null,null,"pKa1",-7,6.3520000000000003,4.7569999999999997,1.2,9.2439999999999998,13.997,2.35,-6,13.997,6.3520000000000003,"bp1",{"$f":"IF(K5=\"\",\"\",IF(K6=\"\",10^K5,(IF(K7=\"\",10^K6,(IF(K8=\"\",10^K7,(IF(K9=\"\",10^K8,(IF(K10=\"\",10^K9,10^K10))))))))))","v":9.9999999999999995E-8},21330449131.465843,57147.863667186728,50118723.362727284,1753880501.8417609,99311604842093.641,5997910762.5551224,{"$f":"IF(R5=\"\",\"\",IF(R6=\"\",10^R5,10^R6))","v":9.9999999999999995E-7},{"$f":"IF(S5=\"\",\"\",IF(S6=\"\",10^S5,10^S6))","v":99311604842093.641},{"$f":"IF(T5=\"\",\"\",IF(T6=\"\",10^T5,10^T6))","v":21330449131.465843},"pKa1 = logKpn",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,4))","v":-7},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,4))","v":6.3520000000000003},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,4))","v":4.7569999999999997},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,4))","v":1.2},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,4))","v":9.2439999999999998},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,4))","v":13.997},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,4))","v":2.35}]
["[H2B]",null,null,null,5.0000000000000002E-5,null,null,null,null,"pKa2","",10.329000000000001,"",7.7,"","",9.7780000000000005,null,null,10.329000000000001,"bp2",{"$f":"IF(K6=\"\",\"\",IF(K7=\"\",V5*10^K5,(IF(K8=\"\",V5*10^K6,(IF(K9=\"\",V5*10^K7,(IF(K10=\"\",V5*10^K8,V5*10^K9))))))))","v":""},4.7973344863669224E+16,"",794328234.7242825,"","",1342764961137.8711,{"$f":"IF(R6=\"\",\"\",AC5*10^R5)","v":""},{"$f":"IF(S6=\"\",\"\",AD5*10^S5)","v":""},{"$f":"IF(T6=\"\",\"\",AE5*10^T5)","v":4.7973344863669224E+16},"pKa2 = logKpn-1",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,5))","v":10.329000000000001},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,5))","v":7.7},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,5))","v":9.7780000000000005}]
["[H3B]",null,null,null,null,null,null,null,null,"pKa3","","","","","","","",null,null,null,"bp3",{"$f":"IF(K7=\"\",\"\",IF(K8=\"\",V6*10^K5,(IF(K9=\"\",V6*10^K6,(IF(K10=\"\",V6*10^K7,V6*10^K8))))))","v":""},"","","","","","",null,null,null,"pKa3 = logKpn-2",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,6))","v":""}]
["[H4B]",null,null,null,null,null,null,null,null,"pKa4","","","","","","","",null,null,null,"bp4",{"$f":"IF(K8=\"\",\"\",IF(K9=\"\",V7*10^K5,(IF(K10=\"\",V7*10^K6,V7*10^K7))))","v":""},"","","","","","",null,null,null,"pKa4 = logKpn-3",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,7))","v":""}]
["[H5B]",null,null,null,null,null,null,null,null,"pKa5","","","","","","","",null,null,null,"bp5",{"$f":"IF(K9=\"\",\"\",IF(K10=\"\",V8*10^K5,V8*10^K6))","v":""},"","","","","","",null,null,null,"pKa5 = logKpn-4",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,8))","v":""}]
["[H6B]",null,null,null,null,null,null,null,"SS","pKa6","","","","","","","",null,null,null,"bp6",{"$f":"IF(K10=\"\",\"\",V9*10^K5)","v":""},"","","","","","",null,null,null,"pKa6 = logKpn-5",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,9))","v":""}]
["S[HiB]",{"$f":"SUM(B4:B10)","v":0},{"$f":"SUM(C4:C10)","v":0},0.1,5.0000000000000002E-5,0,0,0,{"$f":"SUM(B11:H11)","v":0.10005},"pKw",13.997," Remark: this virtual titrator calculates \"pH\" values disregarding ion-ion interactions (pH calculations are available in the Simulation or pH_calc    modules).",null,null,null,null,null,null,null,null,"Kw",{"$f":"10^-K11","v":1.0069316688518014E-14},null,null,null,null,null,null,null,null,null,"Indicator: pKa1 or 2",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$R$301,14)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$R$301,14))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$R$301,14)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$R$301,14))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$R$301,14)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$R$301,14))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$R$301,14)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$R$301,14))","v":7.7},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$R$301,14)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$R$301,14))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$R$301,14)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$R$301,14))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$R$301,14)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$R$301,14))","v":""}]
["S[H]",{"$f":"B5+2*B6+3*B7+4*B8+5*B9+6*B10","v":0},{"$f":"C5+2*C6+3*C7+4*C8+5*C9+6*C10","v":0},0.1,1E-4,0,0,0,{"$f":"SUM(B12:H12)","v":0.10010000000000001},null,null,null,null,"Color  coding",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"color #, pH < pKa indic",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$R$301,15)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$R$301,15))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$R$301,15)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$R$301,15))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$R$301,15)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$R$301,15))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$R$301,15)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$R$301,15))","v":4907000},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$R$301,15)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$R$301,15))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$R$301,15)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$R$301,15))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$R$301,15)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$R$301,15))","v":""}]
["TITRANT","Strong ACID","Strong BASE","Carbonic ac.","Total","  Volume of titrand in beaker (mL)",null,null,null,null,null,null,null,"D  o     n  o  t     c  h  a  n  g  e ",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"color #, pH = pKa indic",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$R$301,16)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$R$301,16))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$R$301,16)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$R$301,16))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$R$301,16)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$R$301,16))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$R$301,16)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$R$301,16))","v":4961023},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$R$301,16)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$R$301,16))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$R$301,16)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$R$301,16))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$R$301,16)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$R$301,16))","v":""}]
["[B]",null,0.1,null,"Titrants","Sample","Water","Sum",null,"           Titrant reservoir",null,null,null," C h a n g e   c r i t e r i o u s l y",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"color #, pH > pKa indic",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$R$301,17)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$R$301,17))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$R$301,17)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$R$301,17))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$R$301,17)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$R$301,17))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$R$301,17)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$R$301,17))","v":5263615},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$R$301,17)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$R$301,17))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$R$301,17)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$R$301,17))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$R$301,17)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$R$301,17))","v":""}]
["[HB]",null,null,null,null,"Dispensed","added","(initial vol.)",null,"    Composition: cells B13 to D16",null,null,null,"Fill out, change or leave blank"]
["[H2B]",null,null,null,"SS",20,0,{"$f":"F16+G16","v":20}]
["S[HiB]",{"$f":"SUM(B14:B16)","v":0},{"$f":"SUM(C14:C16)","v":0.1},{"$f":"SUM(D14:D16)","v":0},{"$f":"SUM(B17:D17)","v":0.1},"Buret (syringe) capacity"]
["S[H]",{"$f":"B15+2*B16","v":0},{"$f":"C15+2*C16","v":0},{"$f":"D15+2*D16","v":0},{"$f":"SUM(B18:D18)","v":0},50,null," mL of titrant                  ."]
["  Unknown sample"]
["Digital BURET"," motor",{"$f":"B21","v":27.910000000000014},null,null,null,"pH-meter"]
["Volume, mL",27.910000000000014,"Syringe with titrant",null,null,"\"pH\"  ",12.21319927694276]
[null,"Titrant addition (mL)    "]
[]
[null,null,null,null,null,null,"Display (or hide)"]
[null,null,null,null,null,true,"pH and titration curve"]
[null,null,null,null,null,true,"Titrand equilibrium"]
[]
["  Model INDICATOR",null,null,null,null,null," TITRAND equilibrium"]
["pKa, indicator",7.7,null,null,null,null,"Molar fraction","Acetic acid"]
["Region","Color",null,null,null,null,"% B",99.99999650215382]
["pH > pK+1",{"$f":"B29+1","v":8.6999999999999993},null,12.21319927694276,{"$f":"$D$31","v":12.21319927694276},null,"% HB",3.4978461854644776E-6]
["pH = pK",{"$f":"B29","v":7.7},null,{"$f":"$D$31","v":12.21319927694276},{"$f":"$D$31","v":12.21319927694276},null,"% H2B"]
["pH < pK-1",{"$f":"B29-1","v":6.7},null,{"$f":"$D$31","v":12.21319927694276},{"$f":"$D$31","v":12.21319927694276},null,"% H3B"]
["  INDICATOR equilibrium",null,null,{"$f":"$D$31","v":12.21319927694276},{"$f":"$D$31","v":12.21319927694276},null,"% H4B",null,null,null,null,null,null,null,null,null,null," Data ID on curves"]
["Molar fraction","Indicator",null,{"$f":"$D$31","v":12.21319927694276},{"$f":"$D$31","v":12.21319927694276},null,"% H5B",null,null,null,null,null,null,null,null,null,null," Copying curves"]
["% Ind",99.996932480015474,null,"         Magnetic stirrer",null,null,"% H6B",null,null,null,null,null,null,null,null,null,null," Resizing axis"]
["% Hind",3.0675199845231482E-3,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null," Other graphics"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null," Data analysis"]
["Vadd","\"pH\"","Vadd","\"pH\"","[H]","CHtot =","Dil. factor","Dil. Factor","h1","h2","h3","h4","h5","h6","h7","h1 titrant","h2 titrant","h3 titrant"]
["(mL)","simulated","on graphic","on graphic",null,"CHcalc","Titrand (sample)","Titrant (buret)",{"$f":"K3","v":"HCl"},"Carbonic acid","Acetic acid","Phenol Red (pKa 7.7)","Ammonia","Hydroxide ion","Glycine","Strong ACID","Strong BASE","Carbonic ac."]
[0,2.8732302361167967,0,2.8732302361167967,1.3389666617932572E-3,0.10009999999813043,1,0,null,null,0.9870999507950482,1.020765315764889,null,null,null,null,0.99999999999986566]
[2,3.8085675346665084,2,3.8085675346665084,1.5539336285957283E-4,9.1000000009423987E-2,0.90909090909090906,9.0909090909090912E-2,null,null,0.8987895096309122,1.0023283847338127,null,null,null,null,0.99999999999884237]
[4,4.1558583942241967,4,4.1558583942241967,6.9846010640012724E-5,8.341666665964223E-2,0.83333333333333337,0.16666666666666666,null,null,0.79966143943113877,1.0008201765518951,null,null,null,null,0.9999999999974245]
[6,4.3890868783928454,6,4.3890868783928454,4.0823771229455128E-5,7.6999999969965732E-2,0.76923076923076927,0.23076923076923078,null,null,0.69996921475020357,1.0001580835029342,null,null,null,null,0.99999999999559352]
[8,4.5806689499877393,8,4.5806689499877393,2.6262196712177228E-5,7.1500000010245868E-2,0.7142857142857143,0.2857142857142857,null,null,0.60013250631745496,0.99965688434123023,null,null,null,null,0.99999999999315037]
[10,4.756587051320821,10,4.756587051320821,1.7515113207079535E-5,6.6733333331724376E-2,0.66666666666666663,0.33333333333333331,null,null,0.50023771208224632,0.99913964865144611,null,null,null,null,0.99999999998972966]
[12,4.9325233497656882,12,4.9325233497656882,1.1680909259718396E-5,6.2562499980916828E-2,0.625,0.375,null,null,0.40031387901426657,0.99847986839702274,null,null,null,null,0.99999999998459987]
[13,5.0251862998120487,13,5.0251862998120487,9.4365598823608279E-6,6.0666666669311482E-2,0.60606060606060608,0.39393939393939392,null,null,0.35034529462329556,0.99803960179123974,null,null,null,null,0.99999999998093725]
[14,5.1242044870741665,14,5.1242044870741665,7.5126907651767135E-6,5.8882352934952836E-2,0.58823529411764708,0.41176470588235292,null,null,0.30037357183718771,0.99747023226013765,null,null,null,null,0.9999999999760556]
[15,5.2331966585479677,15,5.2331966585479677,5.8452533766643153E-6,5.72000000015997E-2,0.5714285714285714,0.42857142857142855,null,null,0.25039939287866958,0.99669076910609433,null,null,null,null,0.99999999996922506]
[16,5.357911869417876,16,5.357911869417876,4.3861969703454432E-6,5.5611111120401228E-2,0.55555555555555558,0.44444444444444442,null,null,0.20042331940066108,0.99554115221811934,null,null,null,null,0.99999999995898792]
[16.5,5.4291094332002103,16.5,5.4291094332002103,3.7229788309092037E-6,5.4849315076457864E-2,0.54794520547945202,0.45205479452054792,null,null,0.17543474105494344,0.994728252428419,null,null,null,null,0.99999999995168198]
[17,5.508810659404844,17,5.508810659404844,3.0987699842896601E-6,5.4108108108327897E-2,0.54054054054054057,0.45945945945945948,null,null,0.1504459072151117,0.99365141692549186,null,null,null,null,0.99999999994194888]
[17.5,5.6002865410409868,17.5,5.6002865410409868,2.5102296728075381E-6,5.3386666670779313E-2,0.53333333333333333,0.46666666666666667,null,null,0.1254569315773594,0.99215393631582682,null,null,null,null,0.99999999992833843]
[18,5.7089888504706323,18,5.7089888504706323,1.9543896296683889E-6,5.2684210534268701E-2,0.52631578947368418,0.47368421052631576,null,null,0.1004680022162532,0.98992501123208043,null,null,null,null,0.9999999999079574]
[18.5,5.8450874635018408,18.5,5.8450874635018408,1.4286062194519564E-6,5.1999999994064197E-2,0.51948051948051943,0.48051948051948051,null,null,7.5479510754658974E-2,0.98624851718794393,null,null,null,null,0.99999999987408206]
[19,6.0312710306607187,19,6.0312710306607187,9.3052697917589026E-7,5.1333333334999266E-2,0.51282051282051277,0.48717948717948717,null,null,5.0492554662420003E-2,0.97902257773817947,null,null,null,null,0.99999999980668253]
[19.5,6.3390276008285582,19.5,6.3390276008285582,4.5811277123094471E-7,5.0683544302003461E-2,0.50632911392405067,0.49367088607594939,null,null,2.5512251190972689E-2,0.95827106827994435,null,null,null,null,0.9999999996073301]
[19.7,6.5590608413331211,19.7,6.5590608413331211,2.7601911474783683E-7,5.0428211587032333E-2,0.50377833753148615,0.49622166246851379,null,null,1.5528950599401495E-2,0.93259040744713784,null,null,null,null,0.99999999934828032]
[19.8,6.729320949409157,19.8,6.729320949409157,1.8650009209008174E-7,5.0301507537237937E-2,0.50251256281407042,0.49748743718592969,null,null,1.0545685051076175E-2,0.90335792576678775,null,null,null,null,0.99999999903545844]
[19.900000000000002,7.0075858007185161,19.900000000000002,7.0075858007185161,9.8268471123388591E-8,5.0175438596577096E-2,0.50125313283208017,0.49874686716791977,null,null,5.5844717348101048E-3,0.83122771468133938,null,null,null,null,0.9999999981694323]
[19.950000000000003,7.2593171945773065,19.950000000000003,7.2593171945773065,5.5040555123704652E-8,5.0112640801244064E-2,0.50062578222778464,0.4993742177722153,null,null,3.1355873101927977E-3,0.73394163569063808,null,null,null,null,0.99999999673173556]
[19.970000000000002,7.4183593583293259,19.970000000000002,7.4183593583293259,3.8162836057532731E-8,5.0087565674162345E-2,0.50037528146109589,0.49962471853890428,null,null,2.1761784687832552E-3,0.65667324273625094,null,null,null,null,0.99999999528632799]
[19.980000000000004,7.524222097825259,19.980000000000004,7.524222097825259,2.9907347862569245E-8,5.0075037518871948E-2,0.50025012506253119,0.49974987493746881,null,null,1.7062248611958595E-3,0.5998272184513388,null,null,null,null,0.99999999398518746]
[19.990000000000006,7.6604494755156338,19.990000000000006,7.6604494755156338,2.1854985590452048E-8,5.0062515628844777E-2,0.50012503125781438,0.49987496874218557,null,null,1.2474077660741239E-3,0.52275165743186436,null,null,null,null,0.99999999176905929]
[20.000000000000007,7.8499296265654266,20.000000000000007,7.8499296265654266,1.4127664519123931E-8,5.0050000000012106E-2,0.49999999999999989,0.50000000000000011,null,null,8.0671453297832742E-4,0.41454079497715701,null,null,null,null,0.99999998726703276]
[20.010000000000009,8.1557883764617145,20.010000000000009,8.1557883764617145,6.9857272251276364E-9,5.0037490627351786E-2,0.4998750312421894,0.50012496875781065,null,null,3.9906007498708736E-4,0.25932280484053238,null,null,null,null,0.99999997424933995]
[20.02000000000001,8.8002537922002375,20.02000000000001,8.8002537922002375,1.5839672860960506E-9,5.0024987506237809E-2,0.49975012493753113,0.50024987506246887,null,null,9.0512153230576858E-5,7.3547731050991369E-2,null,null,null,null,0.99999988643258431]
[20.030000000000012,9.420395974535495,20.030000000000012,9.420395974535495,3.7984291089246862E-10,5.0012490631989065E-2,0.49962528103922038,0.50037471896077956,null,null,2.1706739670579962E-5,1.868159592111035E-2,null,null,null,null,0.99999952641736534]
[20.040000000000013,9.7021594396792352,20.040000000000013,9.7021594396792352,1.9853659092078828E-10,5.0000000000021971E-2,0.49950049950049935,0.50049950049950065,null,null,1.1345813314114336E-5,9.8523655675628093E-3,null,null,null,null,0.99999909393564435]
[20.060000000000013,9.9977490934543312,20.060000000000013,9.9977490934543312,1.0051963583383628E-10,4.9975037443854273E-2,0.49925112331502725,0.5007488766849727,null,null,5.7444494517776452E-6,5.0126624706988403E-3,null,null,null,null,0.99999821043154502]
[20.110000000000014,10.347956786397845,20.110000000000014,10.347956786397845,4.4879004366548672E-11,4.9912739965046103E-2,0.49862877088007962,0.50137122911992038,null,null,2.5647326424382271E-6,2.2442305062188497E-3,null,null,null,null,0.99999599174774012]
[20.210000000000015,10.671109877061099,20.210000000000015,10.671109877061099,2.1325053183089358E-11,4.9788609799468239E-2,0.49738870927629925,0.50261129072370081,null,null,1.218679748127259E-6,1.0676433624310303E-3,null,null,null,null,0.99999156458967042]
[20.410000000000014,10.981203193310648,20.410000000000014,10.981203193310648,1.044231540416706E-11,4.954219252500619E-2,0.49492699826775538,0.50507300173224468,null,null,5.9675566032971587E-7,5.2308175889575429E-4,null,null,null,null,0.99998277355299781]
[20.910000000000014,11.334167880471796,20.910000000000014,11.334167880471796,4.6326780474667635E-12,4.89366903004059E-2,0.48887802493277915,0.5111219750672209,null,null,2.6474758366316677E-7,2.3213001291864384E-4,null,null,null,null,0.99996117146395136]
[21.410000000000014,11.522510181646794,21.410000000000014,11.522510181646794,3.0025470279989311E-12,4.8345810195814916E-2,0.48297512678097065,0.51702487321902946,null,null,1.7158911895155093E-7,1.5046118208148166E-4,null,null,null,null,0.99994009209082058]
[21.910000000000014,11.65073959948495,21.910000000000014,11.65073959948495,2.2349118616824213E-12,4.7769028866014605E-2,0.47721307563827237,0.52278692436172769,null,null,1.2772042193015224E-7,1.1199838418049014E-4,null,null,null,null,0.9999195169094045]
[22.910000000000014,11.824925706256181,22.910000000000014,11.824925706256181,1.4964916355317124E-12,4.6655791184622215E-2,0.46609182008855732,0.53390817991144279,null,null,8.5521292560861439E-8,7.4996625303331275E-5,null,null,null,null,0.99987980856922398]
[23.910000000000014,11.943964170757681,23.910000000000014,11.943964170757681,1.1377211438087334E-12,4.5593258928847268E-2,0.45547711227510806,0.54452288772489199,null,null,6.5018328520559654E-8,5.701787998737637E-5,null,null,null,null,0.9998419132360189]
[25.910000000000014,12.104770549107343,25.910000000000014,12.104770549107343,7.8565060792569933E-13,4.3607057262516118E-2,0.43563493792202124,0.56436506207797887,null,null,4.4898251767786113E-8,3.9374255044141682E-5,null,null,null,null,0.99977108664928849]
[27.910000000000014,12.21319927694276,27.910000000000014,12.21319927694276,6.1206947790458902E-13,4.1786683339230156E-2,0.41744938426215811,0.58255061573784195,null,null,3.4978461817140012E-8,3.0675199812823656E-5,null,null,null,null,0.99970618656059063]

{"sheet":"Simulation","index":4,"n_rows":91,"n_cols":78,"rows_kept":91,"cut":false,"hidden":false,"merged":[]}
[null,null,"  Virtual Titrator – Simulation of curves  ",null,null,null,null,"<--- read instructions",null,null," pKas of the acids and bases in the solution",null,null,"Click on K2 to Q2; select acids/bases; click on J2; read M1",null,null,null,null,null,null,"          Overall protonation constants = bp = PKp (calculated by the program)",null,null,null,null,null,null,"  pKa(n) = -log Kd(HB-->B) = log Kp(1)",null,null,null,"       pKas loaded from the Database "]
["     Sample (titrand) and titrant (standard) composition (concentrations in mol/L)",null,null,null,null,null,null,null,null,null,5,8,98,1,2,6,3,null,"Titrant",null,null,"Titrand",null,null,null,null,null,null,"Titrant",null,null,null,"    Titrand","Click on J2 to use these pKas in the Simulation"]
["SAMPLE\nSpecies",{"$f":"K3","v":"EDTA"},{"$f":"L3","v":"Phosphoric acid"},"L-Glutamic acid ","Acetic acid","Ammonia","HCl","Carbonic acid",null,"Acid / Base","EDTA","Phosphoric acid","L-Glutamic acid ","Acetic acid","Ammonia","HCl","Carbonic acid","Strong ACID","Strong BASE","Carbonic ac.","Acid / Base",{"$f":"IF(K3=\"\",\"\",K3)","v":"EDTA"},"Phosphoric acid","L-Glutamic acid ","Acetic acid","Ammonia","HCl","Carbonic acid",{"$f":"R3","v":"Strong ACID"},{"$f":"S3","v":"Strong BASE"},{"$f":"T3","v":"Carbonic ac."},"Acid / Base",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,2))","v":"EDTA"},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,2))","v":"Phosphoric acid"},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,2))","v":"L-Glutamic acid "},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,2))","v":"Acetic acid"},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,2))","v":"Ammonia"},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,2))","v":"HCl"},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,2))","v":"Carbonic acid"}]
["[B]",null,null,null,null,null,null,null,null,"Charge of B",-4,-3,-2,-1,0,-1,-2,-1,-1,-2,"Charge of B",-4,{"$f":"IF(L4=\"\",\"\",L4)","v":-3},-2,-1,0,-1,-2,{"$f":"IF(R4=\"\",\"\",R4)","v":-1},{"$f":"IF(S4=\"\",\"\",S4)","v":-1},{"$f":"IF(T4=\"\",\"\",T4)","v":-2},"Charge of  B",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,3))","v":-4},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,3))","v":-3},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,3))","v":-2},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,3))","v":-1},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,3))","v":0},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,3))","v":-1},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,3))","v":-2}]
["[HB]",null,null,null,null,null,null,null,null,"pKa1",-0.21,2.1480000000000001,2.23,4.7569999999999997,9.2439999999999998,-7,6.3520000000000003,-6,13.997,6.3520000000000003,"bp1",{"$f":"IF(K5=\"\",\"\",IF(K6=\"\",10^K5,(IF(K7=\"\",10^K6,(IF(K8=\"\",10^K7,(IF(K9=\"\",10^K8,(IF(K10=\"\",10^K9,10^K10))))))))))","v":107151930523.76077},2238721138568.3457,8912509381.3374634,57147.863667186728,1753880501.8417609,9.9999999999999995E-8,21330449131.465843,{"$f":"IF(R5=\"\",\"\",IF(R6=\"\",10^R5,10^R6))","v":9.9999999999999995E-7},{"$f":"IF(S5=\"\",\"\",IF(S6=\"\",10^S5,10^S6))","v":99311604842093.641},{"$f":"IF(T5=\"\",\"\",IF(T6=\"\",10^T5,10^T6))","v":21330449131.465843},"pKa1 = logKpn",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,4))","v":-0.21},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,4))","v":2.1480000000000001},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,4))","v":2.23},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,4))","v":4.7569999999999997},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,4))","v":9.2439999999999998},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,4))","v":-7},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,4))","v":6.3520000000000003}]
["[H2B]",null,null,null,null,null,null,null,null,"pKa2",1.5,7.1989999999999998,4.42,"","","",10.329000000000001,null,null,10.329000000000001,"bp2",{"$f":"IF(K6=\"\",\"\",IF(K7=\"\",V5*10^K5,(IF(K8=\"\",V5*10^K6,(IF(K9=\"\",V5*10^K7,(IF(K10=\"\",V5*10^K8,V5*10^K9))))))))","v":6.0255958607435917E+17},3.539973410834362E+19,234422881531992.5,"","","",4.7973344863669224E+16,{"$f":"IF(R6=\"\",\"\",AC5*10^R5)","v":""},{"$f":"IF(S6=\"\",\"\",AD5*10^S5)","v":""},{"$f":"IF(T6=\"\",\"\",AE5*10^T5)","v":4.7973344863669224E+16},"pKa2 = logKpn-1",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,5))","v":1.5},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,5))","v":7.1989999999999998},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,5))","v":4.42},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,5))","v":10.329000000000001}]
["[H3B]",null,0.05,null,null,null,null,null,null,"pKa3",2.21,12.35,9.9499999999999993,"","","","",null,null,null,"bp3",{"$f":"IF(K7=\"\",\"\",IF(K8=\"\",V6*10^K5,(IF(K9=\"\",V6*10^K6,(IF(K10=\"\",V6*10^K7,V6*10^K8))))))","v":7.7624711662869401E+20},4.9773708497893867E+21,3.9810717055349776E+16,"","","","",null,null,null,"pKa3 = logKpn-2",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,6))","v":2.21},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,6))","v":12.35},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,6))","v":9.9499999999999993},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,6))","v":""}]
["[H4B]",null,null,null,null,null,null,null,null,"pKa4",3.11,"","","","","","",null,null,null,"bp4",{"$f":"IF(K8=\"\",\"\",IF(K9=\"\",V7*10^K5,(IF(K10=\"\",V7*10^K6,V7*10^K7))))","v":1.2589254117941712E+23},"","","","","","",null,null,null,"pKa4 = logKpn-3",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,7))","v":3.11},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,7))","v":""}]
["[H5B]",null,null,null,null,null,null,null,null,"pKa5",6.75,"","","","","","",null,null,null,"bp5",{"$f":"IF(K9=\"\",\"\",IF(K10=\"\",V8*10^K5,V8*10^K6))","v":3.9810717055349867E+24},"","","","","","",null,null,null,"pKa5 = logKpn-4",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,8))","v":6.75},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,8))","v":""}]
["[H6B]",null,null,null,null,null,null,null,"SS","pKa6",11.03,"","","","","","",null,null,null,"bp6",{"$f":"IF(K10=\"\",\"\",V9*10^K5)","v":2.4547089156850394E+24},"","","","","","",null,null,null,"pKa6 = logKpn-5",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,9))","v":11.03},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,9))","v":""}]
["S[HiB]",{"$f":"SUM(B4:B10)","v":0},{"$f":"SUM(C4:C10)","v":0.05},0,0,0,0,0,{"$f":"SUM(B11:H11)","v":0.05},"pKw",13.997,null,null,null,null,null,null,null,null,null,"Kw",{"$f":"10^-K11","v":1.0069316688518014E-14}]
["S[H]",{"$f":"B5+2*B6+3*B7+4*B8+5*B9+6*B10","v":0},{"$f":"C5+2*C6+3*C7+4*C8+5*C9+6*C10","v":0.15000000000000002},0,0,0,0,0,{"$f":"SUM(B12:H12)","v":0.15000000000000002}]
["SziCi",{"$f":"K4*B4+(K4+1)*B5+(K4+2)*B6+(K4+3)*B7+(K4+4)*B8+(K4+5)*B9+(K4+6)*B10","v":0},{"$f":"L4*C4+(L4+1)*C5+(L4+2)*C6+(L4+3)*C7+(L4+4)*C8+(L4+5)*C9+(L4+6)*C10","v":0},0,0,0,0,0,{"$f":"SUM(B13:H13)","v":0}]
["TITRANT",{"$f":"R3","v":"Strong ACID"},{"$f":"S3","v":"Strong BASE"},{"$f":"T3","v":"Carbonic ac."},"Total","  Volumes in the titration cell (in mL)",null,null,"  Counterions and other ions",null,{"$f":"IF(K17<>K16, \"error: K16><K17\",\"\")","v":""},{"$f":"IF(K20<>K19, \"error: K19><K20\",\"\")","v":""},"  Simulation of errors ",null,"  Davies equation parameters"]
["[B]",null,0.1,null,"Titrant(s)","Sample","Water","Sum","    Titrand","Minimum  (mol/L)","Extra  (mol/L)","Sum  (mol/L)","  (data dispersion)",null,"  for activity coefficient estimation"]
["[HB]",null,null,null,null,"Dispensed","added","(initial vol.)","Cations (monov.)",{"$f":"IF(I13<0,-I13,0)","v":0},0,{"$f":"J16+K16","v":0},"S pH=",0,"A ",0.50900000000000001]
["[H2B]",null,null,null,"SS",20,0,{"$f":"F17+G17","v":20},"Anions (monov.)",{"$f":"IF(I13>0,I13,0)","v":0},0,{"$f":"J17+K17","v":0},"S Vol=",0,"b",0.3]
["S[HiB]",{"$f":"SUM(B15:B17)","v":0},{"$f":"SUM(C15:C17)","v":0.1},{"$f":"SUM(D15:D17)","v":0},{"$f":"SUM(B18:D18)","v":0.1},"Maximum titrant volume & additions ",null,null,"     Titrant","Minimum  (mol/L)","Extra  (mol/L)","Sum  (mol/L)"]
["S[H]",{"$f":"B16+2*B17","v":0},{"$f":"C16+2*C17","v":0},{"$f":"D16+2*D17","v":0},{"$f":"SUM(B19:D19)","v":0},"Titrant Vol.","Number of additions ",null,"Cations (monov.)",{"$f":"IF(E20<0,-E20,0)","v":0.1},0,{"$f":"J19+K19","v":0.1},null,"I > 0.1 mol/L; the accuracy of pH calculation decreases with increasing I. Refer to comment in P15."]
["SziCi",{"$f":"R4*B15+(R4+1)*B16+(R4+2)*B17","v":0},{"$f":"S4*C15+(S4+1)*C16+(S4+2)*C17","v":-0.1},{"$f":"T4*D15+(T4+1)*D16+(T4+2)*D17","v":0},{"$f":"SUM(B20:D20)","v":-0.1},50,50,"Upper limits","Anions (monov.)",{"$f":"IF(E20>0,E20,0)","v":0},0,{"$f":"J20+K20","v":0}]
[2]
[" ",null,null,null,null,null,null,null,null,null,null,null,null,"Color  coding"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"D  o     n  o  t     c  h  a  n  g  e "]
[null,null,null,null,null,null,null,null,null,null,null,null,null," C h a n g e   c r i t e r i o u s l y"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"Fill out, change or leave blank"]
[null,null,null,null,null,null,null,null,null,null,null,null," Data ID on curves"]
[null,null,null,null,null,null,null,null,null,null,null,null," Copying curves"]
[null,null,null,null,null,null,null,null,null,null,null,null," Resizing axis"]
[null,null,null,null,null,null,null,null,null,null,null,null," Other graphics"]
[null,null,null,null,null,null,null,null,null,null,null,null," Data analysis"]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"     Curve copied",null,"     Curve copied"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"      from Evaluation",null,"      from Regression",null,"    Retained previously simulated curves  "]
["Vadd",{"$f":"IF(A21=2,\"pH\", \"'pH'\")","v":"pH"},"Vadd",{"$f":"IF(A21=2,\"pH\", \"'pH'\")","v":"pH"},"[H]","CHtot =","Dil. factor","Dil. Factor","h1","h2","h3","h4","h5","h6","h7","h1 titrant","h2 titrant","h3 titrant","Parameters calculated only for the Activities, plot pH option",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Vol","pH","Vol","pH","Vol","pH","Vol","pH","Vol","pH","Vol","pH","Vol","pH","Vol","pH","Vol","pH","Vol","pH","Vol","pH","Vol","pH","Vol","pH","Vol","pH","Vol","pH"]
["(mL)","simulated","with \"error\" \n(do not use)","simulated with \"error\"",null,"CHcalc","Titrand (sample)","Titrant (buret)",{"$f":"K3","v":"EDTA"},"Phosphoric acid","L-Glutamic acid ","Acetic acid","Ammonia","HCl","Carbonic acid","Strong ACID","Strong BASE","Carbonic ac.","Ionic strength","Extra ions","gH+","pH",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13]
[0,1.8171072203323106,null,null,1.7357856752656456E-2,0.15000000392439017,1,0,null,2.6528429434497318,null,null,null,null,null,null,0.99999999999998657,null,1.7357961286686194E-2,0,0.87780223435735738,1.7605039000095966,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,0,3.353082640741027,0,1.3864116955262979]
[2.3004442699983274,2.032047786974347,null,null,1.0695068602377461E-2,0.13452646788409006,0.89684311915668358,0.10315688084331645,null,2.5314507916472633,null,null,null,null,null,null,0.99999999999997768,null,2.1010975042030127E-2,1.0315688084331646E-2,0.86849763637200172,1.9708164253478602,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,0.68944716913392767,3.5408274918499165,3.1178095916402526,1.6072509629846639]
[4.3254293806277717,2.2461395606251631,null,null,6.5897820243305504E-3,0.12332773054295963,0.82218487028430232,0.17781512971569774,null,2.4071577847182537,null,null,null,null,null,null,0.99999999999996314,null,2.4371720628274859E-2,1.7781512971569775E-2,0.86097272332175656,2.1811289506861238,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,1.4582087154849432,3.7289556504310046,5.4830842549563386,1.8295767720077105]
[5.9982885514807629,2.4592836841503636,null,null,4.0603037477045098E-3,0.11539221099547332,0.76928140713558157,0.23071859286441851,null,2.2946101945542652,null,null,null,null,null,null,0.99999999999993949,null,2.7132952420871277E-2,2.3071859286441853E-2,0.85537744544511207,2.3914414760243874,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,2.3542375754914246,3.9171403658690189,7.1361621594405733,2.0529474593634975]
[7.2857924010771136,2.6715840410539862,null,null,2.50176204049755E-3,0.10994732920802602,0.73298219469406134,0.2670178053059386,null,2.2031582002122261,null,null,null,null,null,null,0.99999999999990086,null,2.9204946895041845E-2,2.6701780530593862E-2,0.8514712001486715,2.6017540013626514,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,3.3856183566967957,4.104981039261852,8.2263623175094835,2.2770093808906511]
[8.2150730798798275,2.8832299216443498,null,null,1.5414643081352935E-3,0.10632614671927186,0.70884097812451563,0.29115902187548431,null,2.1350001641515237,null,null,null,null,null,null,0.99999999999983802,null,3.0659788563283712E-2,2.9115902187548434E-2,0.84886105293054914,2.8120665267009151,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,4.5085039237164892,4.2921165891014637,8.9180936905904673,2.5015107349928822]
[8.8526467421235893,3.0944105888088806,null,null,9.4977546816661196E-4,0.103976596212093,0.69317730809079925,0.3068226919092007,null,2.087331790102688,null,null,null,null,null,null,0.9999999999997361,null,3.1636132747354329E-2,3.068226919092007E-2,0.84716589970197553,3.0223790520391787,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,5.6376073000137694,4.478332619621276,9.346292847476434,2.7262844425341055]
[9.2745251162433426,3.3052786275549613,null,null,5.8520553163007882E-4,0.10247817814295154,0.68318785412551275,0.31681214587448719,null,2.0554158749731948,null,null,null,null,null,null,0.99999999999957057,null,3.2273221649580255E-2,3.1681214587448721E-2,0.84608296827883944,3.2326915773774427,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,6.6790875498554669,4.6635941782915484,9.6073197331861593,2.9512243027203571]
[9.5472192681178587,3.5159444786081178,null,null,3.605752367046475E-4,0.10153239710035901,0.67688264734883086,0.3231173526511692,null,2.0346240787037564,null,null,null,null,null,null,0.999999999999302,null,3.2683521578861383E-2,3.2311735265116923E-2,0.84539490683982232,3.4430041027157063,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,7.5649809048627503,4.8480013819512893,9.7649527495377697,3.1762645496567417]
[9.7213897880461388,3.7264837480225905,null,null,2.2216895483277414E-4,0.10093740639297442,0.67291604270954875,0.32708395729045131,null,2.0212578525778881,null,null,null,null,null,null,0.99999999999886591,null,3.2948934281605932E-2,3.2708395729045131E-2,0.8449536434663556,3.6533166280539699,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,8.2683403175906278,5.031717381531374,9.8596074545639567,3.4013650938911701]
[9.8327682232089035,3.9369471828142366,null,null,1.3688972360550086E-4,0.10056056405979136,0.67040376040064109,0.32959623959935896,null,2.0126393813511703,null,null,null,null,null,null,0.99999999999815814,null,3.3126498120028158E-2,3.2959623959935895E-2,0.84466008842194706,3.8636291533922336,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,8.7971470828051679,5.2149114594288255,9.9162514918134548,3.6265017280784404]
[9.9056407354660756,4.1473695043515209,null,null,8.4344801652845916E-5,0.10031552329620627,0.6687701553333163,0.33122984466668365,null,2.0069135460135303,null,null,null,null,null,null,0.99999999999700917,null,3.3256150426479558E-2,3.3122984466668365E-2,0.84444657260448763,4.0739416787304972,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,9.1788289413671009,5.3977294222803902,9.9500796364736743,3.8516599176710975]
[9.9565126243025528,4.3577763800284215,null,null,5.1969171815699719E-5,0.10014516835185062,0.66763445568009061,0.33236554431990928,null,2.0027919305612265,null,null,null,null,null,null,0.99999999999514377,null,3.336787635259808E-2,3.3236554431990931E-2,0.84426313678787235,4.2842542040687608,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,9.4463911591446958,5.5802847581417367,9.9702573395916261,4.0768309653786892]
[9.9971799855994892,4.568189978170067,null,null,3.2020880555578243E-5,0.10000940092717606,0.6667293394872551,0.33327066051274495,null,1.9993214784352054,null,null,null,null,null,null,0.99999999999211475,null,3.3487884398105516E-2,3.3327066051274494E-2,0.84406667536987556,4.4945667294070244,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,9.6302381294663064,5.7626606426347093,9.9822841104469262,4.3020096773616689]
[10.037190472327598,4.7786338760517859,null,null,1.9729711975992238E-5,9.9876185246779423E-2,0.66584123499917303,0.33415876500082703,null,1.9956883491006818,null,null,null,null,null,null,0.99999999998719469,null,3.3644367357541803E-2,3.3415876500082702E-2,0.84381138681261092,4.704879254745288,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,9.7549627986154519,5.9449158555196302,9.9894494880572893,4.5271929557213983]
[10.085949602359053,4.9891381108161532,null,null,1.2156490636788552E-5,9.9714319777955793E-2,0.66476213179869814,0.33523786820130186,null,1.9910393347218676,null,null,null,null,null,null,0.99999999997919897,null,3.3873735427049419E-2,3.3523786820130186E-2,0.84343898767314673,4.9151917800835516,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,9.8390408456907608,6.1270910859581083,9.9937174454680644,4.7523789540175265]
[10.15480393873016,5.1997450185032132,null,null,7.4902393295022055E-6,9.9486635894382155E-2,0.66324423929488052,0.33675576070511953,null,1.9842937964427327,null,null,null,null,null,null,0.9999999999661946,null,3.4228304434082597E-2,3.3675576070511956E-2,0.84286746439138982,5.1255043054218152,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,9.8957675087149255,6.309214284576151,9.9962592605152167,4.9775665722206686]
[10.259427891646595,5.4105160250212876,null,null,4.6151218217071628E-6,9.9142654333944716E-2,0.66095102887966894,0.339048971120331,null,1.9739176528750595,null,null,null,null,null,null,0.99999999994501865,null,3.4786262861466369E-2,3.3904897112033101E-2,0.84197812556355434,5.3358168307600788,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,9.9345023700152524,6.4913047943471502,9.9977730118553154,5.202755155161106]
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[11.071774958241141,6.0448064788874438,null,null,1.0795570383954587E-6,9.6550647741314902E-2,0.643670985223051,0.35632901477694895,null,1.8927893745460747,null,null,null,null,null,null,0.99999999976129661,null,3.9087447616485686E-2,3.5632901477694899E-2,0.83550284110700646,5.9667544067748706,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,9.999968706688378,7.0375037897783503,9.9995325042982586,5.8783235173525084]
[11.659035151734244,6.2572748251870589,null,null,6.6517063427498744E-7,9.4759678731593702E-2,0.63173119154141022,0.36826880845858984,null,1.8340761199428226,null,null,null,null,null,null,0.99999999960872443,null,4.2070224023931589E-2,3.6826880845858986E-2,0.83136571434460926,6.1770669321131342,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,10.017501802940387,7.2195778494024481,9.9997245837585069,6.1035133445166174]
[12.487507127567198,6.4703072866018667,null,null,4.0984585062721997E-7,9.2343188636150653E-2,0.61562125777970345,0.38437874222029655,null,1.7512371415442896,null,null,null,null,null,null,0.99999999935696426,null,4.6096404997134063E-2,3.8437874222029655E-2,0.82617523794672942,6.3873794574513978,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,10.038132137560751,7.4016727738094703,9.9998409408726729,6.3287032462111243]
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{"sheet":"Distribution","index":5,"n_rows":82,"n_cols":64,"rows_kept":82,"cut":false,"hidden":false,"merged":[]}
[null,"         Distribution Diagrams, Buffer Capacity and Protonation Curves",null,null,null,null,null,"<--- read comment",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Do not change or delete"]
[null,null,null,"        Acid/base system",null,"   Overall protonation constants bp",null,"Corrected for I","Species","Curve color",null,null,"Color  coding",null,null,null,null,null,null,null,null,null,null,null,null,"Options of the K12slider"]
[null,null,null,null,8,"Ionic strength, I ",0,{"$f":"IF(C7<0,0,IF(C7>3,3,C7))","v":0.1},"a B",null,null,null,"D  o     n  o  t     c  h  a  n  g  e ",null,null,null,null,null,null,null,null,null,null,null,null,"Titration curve from Titration"]
[null,null,null,"pKa1 = logKpn  ",{"$f":"IF(VLOOKUP(E$3,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(E$3,Database!$B$22:$N$301,4))","v":2.1480000000000001},"bp1",{"$f":"IF(E4=\"\",\"\",IF(E5=\"\",10^E4,(IF(E6=\"\",10^E5,(IF(E7=\"\",10^E6,(IF(E8=\"\",10^E7,(IF(E9=\"\",10^E8,10^E9))))))))))","v":2238721138568.3457},{"$f":"IF(G4=\"\",\"\",(G4*$H$10^(-2*$E$10)))","v":510372321828.43945},"a HB",null,null,null," C h a n g e   c r i t e r i o u s l y",null,null,null,null,null,null,null,null,null,null,null,null,"Titration curve from Simulation"]
[null,"of the acid/base system",null,"pKa2 = logKpn-1",{"$f":"IF(VLOOKUP(E$3,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(E$3,Database!$B$22:$N$301,5))","v":7.1989999999999998},"bp2",{"$f":"IF(E5=\"\",\"\",IF(E6=\"\",G4*10^E4,(IF(E7=\"\",G4*10^E5,(IF(E8=\"\",G4*10^E6,(IF(E9=\"\",G4*10^E7,G4*10^E8))))))))","v":3.539973410834362E+19},{"$f":"IF(G5=\"\",\"\",(G5*$H$10^(-4*$E$10-2)))","v":3.0117010241596421E+18},"a H2B",null,null,null,"Fill out, change or leave blank",null,null,null,null,null,null,null,null,null,null,null,null,"Titration curve from Evaluation"]
[null,{"$f":"IF(VLOOKUP(E$3,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(E$3,Database!$B$22:$N$301,2))","v":"Phosphoric acid"},null,"pKa3 = logKpn-2",{"$f":"IF(VLOOKUP(E$3,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(E$3,Database!$B$22:$N$301,6))","v":12.35},"bp3",{"$f":"IF(E6=\"\",\"\",IF(E7=\"\",G5*10^E4,(IF(E8=\"\",G5*10^E5,(IF(E9=\"\",G5*10^E6,G5*10^E7))))))","v":4.9773708497893867E+21},{"$f":"IF(G6=\"\",\"\",(G6*$H$10^(-6*$E$10-6)))","v":2.5868677582221171E+20},"a H3B",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Titration curve from Regression"]
[null,"at ionic strength I (mol/L)",0.1,"pKa4 = logKpn-3",{"$f":"IF(VLOOKUP(E$3,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(E$3,Database!$B$22:$N$301,7))","v":""},"bp4",{"$f":"IF(E7=\"\",\"\",IF(E8=\"\",G6*10^E4,(IF(E9=\"\",G6*10^E5,G6*10^E6))))","v":""},{"$f":"IF(G7=\"\",\"\",(G7*$H$10^(-8*$E$10-12)))","v":""},"a H4B",null,null,null," Data ID on curves",null,null,null,null,null,null,null,null,null,null,null,null,"No titration curve"]
[null,"and plot Buffer Capacity",null,"pKa5 = logKpn-4",{"$f":"IF(VLOOKUP(E$3,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(E$3,Database!$B$22:$N$301,8))","v":""},"bp5",{"$f":"IF(E8=\"\",\"\",IF(E9=\"\",G7*10^E4,G7*10^E5))","v":""},{"$f":"IF(G8=\"\",\"\",(G8*$H$10^(-10*$E$10-20)))","v":""},"a H5B",null,null,null," Copying curves"]
[null,"at S[HiB] (mol/L)",0.05,"pKa6 = logKpn-5",{"$f":"IF(VLOOKUP(E$3,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(E$3,Database!$B$22:$N$301,9))","v":""},"bp6",{"$f":"IF(E9=\"\",\"\",G8*10^E4)","v":""},{"$f":"IF(G9=\"\",\"\",(G9*$H$10^(-12*$E$10-30)))","v":""},"a H6B",null,null,null," Resizing axis",null,null,"Molar fraction of each species as a function of pH",null,null,null,null,null,null,null,null,null,"Molar fraction of each species during titration",null,null,null,null,null,null,null,null,null,null,null,null,"logarithm of molar fraction of each species as a function of pH",null,null,null,null,null,null,null,null,null,null,"logarithm of molar fraction of each species during titration",null,null,null,null,null,null,null,null,null,null,"Mean charge of species HiB"]
[null,{"$f":"IF(C9>C7,\"Generally C9 < C7\",\"\")","v":""},null,"Charge of B",{"$f":"IF(VLOOKUP(E$3,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(E$3,Database!$B$22:$N$301,3))","v":-3},"gH+",1,{"$f":"10^(-0.509*(H3^0.5/(1+H3^0.5)-0.3*H3))","v":0.78159394394683346},null,null,null,null,null,null,null,null,"alpha 0","alpha 1","alpha 2","alpha 3","alpha 4","alpha 5","alpha 6","Buffer",null,null,null,"alpha 0","alpha 1","alpha 2","alpha 3","alpha 4","alpha 5","alpha 6","scaling","scaling","scaling","Buffer",null,"log alpha 0","log alpha 1","log alpha 2","log alpha 3","log alpha 4","log alpha 5","log alpha 6","Buffer","same","same","log alpha 0","log alpha 1","log alpha 2","log alpha 3","log alpha 4","log alpha 5","log alpha 6","scaling","scaling","Buffer","vs.",null,"vs.",null,"scale"]
[null,{"$f":"IF(C7>0.1, \"Best accuracy for I < 0.1 mol/L\",\"\")","v":""},null,"Protonations, n",{"$f":"IF(E4=\"\",\"\",IF(E5=\"\",1,(IF(E6=\"\",2,(IF(E7=\"\",3,(IF(E8=\"\",4,(IF(E9=\"\",5,6))))))))))","v":3},"pKw",13.997,{"$f":"G11+LOG10(H10^2)","v":13.782962371327621},null,null,null,null,null,null,"pH","h","B","HB","H2B","H3B","H4B","H5B","H6B","Capacity","Vol","pH","h","B","HB","H2B","H3B","H4B","H5B","H6B","pH/14","n*pH/8","n*pH/6","Capacity","pH","B","HB","H2B","H3B","H4B","H5B","H6B","Capacity","Vol","pH","B","HB","H2B","H3B","H4B","H5B","H6B","pH (-8 a 0)","pH (-6 a 0)","Capacity","pH","zm","Vol","zm","z+N.pH/14"]
[null,null,"No Isoelectrc Point in the pH range of ","0 to 14","for",null,{"$f":"IF(VLOOKUP(E$3,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(E$3,Database!$B$22:$N$301,2))","v":"Phosphoric acid"},null,null,"Titration to overlay",2,null,null,null,0,2.9909825254290823,1.829091055273542E-21,1.1943765121842975E-9,9.0174721821650351E-3,0.99098252662345854,null,null,null,2.9470598353394553,0,1.8171072800722754,2.6260869886675571,3.2668417879467625E-16,3.2503247173949048E-6,0.37390651068300745,0.62609023899227489,null,null,null,0.12979337714801967,0.38938013144405897,6.4896688574009834E-2,7.1840897036083165E-2,0,null,-8.9228009792610283,-2.0449019499971892,-3.9339776221329632E-3,null,null,null,0.46938591477603636,0,0,-15.485771642394713,-5.4880377197815591,-0.42723420665833445,-0.20336175042389248,null,null,null,-6.9616529828158429,-3.4808264914079214,-1.1436208496845741,0,-9.0174745709177273E-3,1.8171072800722754,-0.37391301133244292,-2.6106198685559412]
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[null,null,null,null,null,null,null,null,null,null,null,null,null,null,13.799999999999983,1.0243173726719646E-2,0.98975682749896277,1.0243171275354611E-2,1.2256825174619056E-9,2.1348097481124492E-21,null,null,null,1.8728718471547081,null,null,null,null,null,null,null,null,null,null,null,null,null,null,13.799999999999983,-4.4714647850776111E-3,-1.9895526849897858,-8.9115643146844246,null,null,null,null,0.27250629720940811,null,13.799999999999983,null,null,null,null,null,null,null,null,null,null,13.799999999999983,-2.9897568262732803,12.253787600922712,-2.7331282501560308,-0.37418837123084758]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,13.999999999999982,6.4875290717873058E-3,0.99351247141801713,6.4875280921782219E-3,4.8980454241557239E-10,5.3827473286212253E-22,null,null,null,2.9671939901579969,null,null,null,null,null,null,null,null,null,null,null,null,null,null,13.999999999999982,-2.8266585844067115E-3,-2.1879065839914111,-9.3099169188883462,null,null,null,null,0.47234288272642883,null,13.999999999999982,null,null,null,null,null,null,null,null,null,null,13.999999999999982,-2.9935124709282128,12.370424149452386,-2.7823000534861997,-0.34919482511734623]

{"sheet":"Evaluation","index":6,"n_rows":306,"n_cols":23,"rows_kept":306,"cut":false,"hidden":false,"merged":[]}
[null,null,"    Evaluation of Real and Simulated Titration Data by Derivatives with Interpolation",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Color  coding"]
["      Interpolation and smoothing by cubic splines",null,null,null,null,null,null,"Degree of smoothing  ",null,"    Fitting range (zoom)",null,null,"Fit quality of the splines to pH   ",null,null,null,"Inflection auto-finder - first-derivative-based",null,null,null,"         D  o     n  o  t     c  h  a  n  g  e "]
[null,null,null,null,null,null,null," (0 to 100%)",85,"Initial volume",0,null,"Fitted pH std. dev. ",8.5396420668070364E-2,null,"Detector threshold |dpH/dV| >",1,"guess value",0.38695946908090278,"F i l l   o u t ","o r  "," c h a n g e"]
[null,null,null,null,null,null,null,"Interpolated points",300,"Final volume",49.999999998544808,null,"Correlation coefficient",0.99956844021720814,null,null,"Detected inflection points",null,null,"    Interpolated spline smoothed data"]
["Volume","pH","Fitted pH","dpH/dV",null,null,null,null,null,null,null,null,null,null,"step","Volume","pH","dpH/dV","d2pH/dV2","Interp. Vol.","Fitted pH","dpH/dV","d2pH/dV2"]
[0,2.2482361616632276,2.2477912303889083,4.4394079910987393E-2,null,null,null,null,null,null,null,null,null,null,1,10.047833361532291,4.6069860909514464,1.8216420994200988,1.2228618118471162E-3,0,2.2477912303889083,4.438840152905367E-2,0]
[2.1441188422613777,2.3647922005853386,2.3653543093932039,7.6443676588939719E-2,null,null,null,null,null,null,null,null,null,null,2,30.01250000066441,9.3392150292822347,1.8869309236622829,-3.4716549636060268E-3,0.16666666666181604,2.2551998129407687,4.4577872352090181E-2,1.1356915408639271E-3]
[4.004995925060939,2.5506499922129273,2.5529887795508976,0.12440848293731632,null,null,null,null,null,null,null,null,null,null,3,null,null,null,null,0.33333333332363208,2.2626714893403927,4.514590626534639E-2,2.2713830817486708E-3]
[5.5376416989020072,2.7350617167038536,2.7241842697076466,6.785983666046537E-2,null,null,null,null,null,null,null,null,null,null,4,null,null,null,null,0.49999999998544808,2.2702693534355443,4.6092503263493213E-2,3.4070746226334148E-3]
[6.745316281740088,2.8001589143336103,2.8168921085253715,0.15152556009756529,null,null,null,null,null,null,null,null,null,null,5,null,null,null,null,0.66666666664726415,2.2780564990739869,4.7417663346530657E-2,4.5427581698915644E-3]
[7.6638402344542556,3.0210089771607134,3.0105489912522088,0.23935895754652789,null,null,null,null,null,null,null,null,null,null,6,null,null,null,null,0.83333333330908022,2.2860960201034839,4.9121386519787792E-2,5.6784577043820861E-3]
[8.3438355490216054,3.2059162355606015,3.1735117715601051,0.24585077064987898,null,null,null,null,null,null,null,null,null,null,7,null,null,null,null,0.99999999997089617,2.2944510103717999,5.1203672775271013E-2,6.8141332580552742E-3]
[8.8374652448692359,3.3224174642237614,3.3191185459523194,0.40254228756618149,null,null,null,null,null,null,null,null,null,null,8,null,null,null,null,1.1666666666327123,2.3031845637266972,5.3664522120973918E-2,7.9498327925249784E-3]
[9.1911136594717391,3.5577328532705077,3.4994963911690729,0.68128674965399272,null,null,null,null,null,null,null,null,null,null,9,null,null,null,null,1.3333333332945283,2.3123597740159409,5.650393455156745E-2,9.0855163398039455E-3]
[9.4426845156704076,3.6543097997180687,3.702783938622709,1.0343538347538883,null,null,null,null,null,null,null,null,null,null,10,null,null,null,null,1.4999999999563443,2.3220397350872939,5.9721910067051596E-2,1.0221191893477134E-2]
[9.6216144142090343,3.7902703812451346,3.9087827748667299,1.3673466497569156,null,null,null,null,null,null,null,null,null,null,11,null,null,null,null,1.6666666666181604,2.3322875407885197,6.3318448672755434E-2,1.1356891427946839E-2]
[9.7501260883291252,3.9695198921904384,4.093756388175696,1.5931835522330977,null,null,null,null,null,null,null,null,null,null,12,null,null,null,null,1.8333333332799764,2.3431662849673827,6.7293550363349885E-2,1.2492574975225806E-2]
[9.8448491291492246,4.2963445528630579,4.2476246848804697,1.7123901295921333,null,null,null,null,null,null,null,null,null,null,13,null,null,null,null,1.9999999999417923,2.3547390614716459,7.1647215138834958E-2,1.3628258522463138E-2]
[9.9183949307189323,4.4234688315192683,4.37437211645784,1.7748851492560465,null,null,null,null,null,null,null,null,null,null,14,null,null,null,null,2.1666666666036085,2.3670689312539968,7.63750338648196E-2,1.4569841334252029E-2]
[9.9807470614905469,4.3161688355486536,4.485300612834406,1.8114455126765505,null,null,null,null,null,null,null,null,null,null,15,null,null,null,null,2.3333333332654247,2.3801996475684373,8.1181752189660866E-2,1.4270760574085604E-2]
[10.040469448722433,4.3549548393368696,4.5935727403477191,1.8176462791875643,null,null,null,null,null,null,null,null,null,null,null,null,"Titrand concentration calculator",null,null,2.4999999999272404,2.3941231836829133,8.5888771766575181E-2,1.3971647839496067E-2]
[10.105798782024067,4.8580520113807184,4.7120782207504153,1.7687521014919825,null,null,null,null,null,null,null,null,null,null,null,null,"(optional and modifiable)",null,null,2.6666666665890566,2.4088229231402556,9.0496092603556164E-2,1.3672559085682229E-2]
[10.185713412647601,5.1357991946662338,4.8517876304261467,1.6437152120890819,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,2.8333333332508728,2.4242822494832952,9.5003714697939279E-2,1.337346233830425E-2]
[10.291077989677433,5.1329008521350588,5.0194538449700117,1.4393694924113245,null,null,null,null,null,null,null,null,null,null,null,null,"Volume of titrand (sample pupated into cell)  ",20,"  mL",2.9999999999126885,2.4404845462548628,9.9411638049724527E-2,1.3074373584532046E-2]
[10.435955300636124,5.2423833602130161,5.2146492768169725,1.1641204134540271,null,null,null,null,null,null,null,null,null,null,null,null,"Concentration of titrant (in the buret)  ",0.1,"  mol/L",3.1666666665745047,2.4574131969977904,0.10371986265624737,1.2775276837154065E-2]
[10.639140704006422,5.4344364742158016,5.4251033055535851,0.84111876904719718,null,null,null,null,null,null,null,null,null,null,null,null,"  Number of mols of titrant",null,"Result (mol/L)",3.3333333332363209,2.4750515852549082,0.10792838852017235,1.2476180089734451E-2]
[10.925871347717475,5.5859265023774283,5.6263700185926995,0.54062439586068511,null,null,null,null,null,null,null,null,null,null,"step","Vol. Inflection","total","stepwise","[species]",3.4999999998981366,2.4933830945690478,0.11203721564149946,1.2177075348750692E-2]
[11.32941198447952,5.7817853807000468,5.800969957723205,0.32662601854994733,null,null,null,null,null,null,null,null,null,null,1,10.047833361532291,{"$f":"IF(P28<>\"\",P28*0.001*$R$25,\"\")","v":1.0047833361532291E-3},{"$f":"IF(P28<>\"\",Q28,\"\")","v":1.0047833361532291E-3},{"$f":"IF(P28<>\"\",R28/$R$24/0.001,\"\")","v":5.023916680766146E-2},3.6666666665599528,2.5123911084830399,0.1160463440202287,1.1877986595020122E-2]
[11.891695459780749,5.9333775681693366,5.9498505351300084,0.21842310493949785,null,null,null,null,null,null,null,null,null,null,2,30.01250000066441,{"$f":"IF(P29<>\"\",P29*0.001*$R$25,\"\")","v":3.0012500000664412E-3},{"$f":"IF(P29<>\"\",(Q29-Q28),\"\")","v":1.9964666639132123E-3},{"$f":"IF(P29<>\"\",R29/$R$24/0.001,\"\")","v":9.9823333195660613E-2},3.8333333332217689,2.5320590105397156,0.11995577365636007,1.1578889847600507E-2]
[12.661303962522652,6.1015246164126706,6.0975497546929853,0.15961767587332287,null,null,null,null,null,null,null,null,null,null,3,null,"",{"$f":"IF(P30<>\"\",(Q30-Q29),\"\")","v":""},"",3.9999999998835847,2.552370184281906,0.12376550454722904,1.1279793100222526E-2]
[13.68609245546395,6.2343706579746305,6.2373585060206231,0.12940471512893156,null,null,null,null,null,null,null,null,null,null,4,null,"","","",4.1666666665454013,2.5732575608785768,0.12653836520839193,5.1898725320476662E-3]
[14.998016964818817,6.4237087256565042,6.4272567565249483,0.16415814249331287,null,null,null,null,null,null,null,null,null,null,5,null,"","","",4.333333333207217,2.594433262584293,0.12722246958689071,-1.0789928950630634E-3]
[16.591740037256386,6.6692782825219714,6.6623664324466985,8.6695023720403011E-2,null,null,null,null,null,null,null,null,null,null,6,null,"","","",4.4999999998690328,2.6155490207556742,0.12581695317426056,-7.3478583222570601E-3]
[18.406854815839324,6.7265948707517058,6.7317303456254196,5.0545501636701823E-2,null,null,null,null,null,null,null,null,null,null,7,null,"","","",4.6666666665308494,2.6362565652605445,0.12232181596783695,-1.3616715755762013E-2]
[20.328983447689097,6.919625802232388,6.9194937491760591,0.11920556329351063,null,null,null,null,null,null,null,null,null,null,8,null,"","","",4.8333333331926651,2.6562076259667284,0.11673705796761988,-1.9885581182872744E-2]
[22.216620297695044,7.0953256149307116,7.0887918691417378,3.3962321941161451E-2,null,null,null,null,null,null,null,null,null,null,9,null,"","","",4.9999999998544808,2.6750539327420495,0.10906267917627388,-2.6154438616377694E-2]
[23.941385601938237,7.1512500737592566,7.1647414420374025,0.13597817354442276,null,null,null,null,null,null,null,null,null,null,10,null,"","","",5.1666666665162975,2.6924472154543322,9.9298679593798955E-2,-3.2423288056276874E-2]
[25.419121760933194,7.4514787286653243,7.4329580755025031,0.13503380799628742,null,null,null,null,null,null,null,null,null,null,"Results of the Example: ",null,null,null,null,5.3333333331781132,2.708039203971401,8.7445059212201484E-2,-3.8692161477035011E-2]
[26.618562547082547,7.5401593301441734,7.5596299835371328,0.15172498308877611,null,null,null,null,null,null,null,null,null,null,"[H3PO4] =  0,0501 mol/L in the 20 mL of sample",null,null,null,null,5.4999999998399289,2.7214816281610794,7.3501818042139622E-2,-4.4961018910539961E-2]
[27.550935077306349,7.7563774949247826,7.7429813680716082,0.20368142504405484,null,null,null,null,null,null,null,null,null,null,"[NaH2PO4] =  [H2PO4- titrated] - [H3PO4] = 0,1000 - 0, 0501 = 0,0499 mol/L ",null,null,null,null,5.6666666665017456,2.732545491629895,6.0245811080305356E-2,-2.9735821806616828E-2]
[28.252110099128913,7.9134510497316528,7.8772984836701303,0.18924152373658837,null,null,null,null,null,null,null,null,null,null,"For this sample, half of the determined H2PO4- came from the H3PO4",null,null,null,null,5.8333333331635613,2.7419603268952932,5.3920100447483715E-2,-8.2399447270298295E-3]
[28.76675075822277,7.9963996764286227,8.0049076159001462,0.37901352359584767,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,5.999999999825377,2.7509173875702602,5.4759681287026005E-2,1.325592435897221E-2]
[29.138159849389922,8.2263819666307043,8.1929929077639194,0.69928697951592,null,null,null,null,null,null,null,null,null,null,null,"How to change the axis of a curve",null,null,null,6.1666666664871936,2.7606108889005831,6.2764553601596745E-2,3.4751793444932615E-2]
[29.403460801404435,8.4238610949150825,8.4135759117230755,1.0529584187757943,null,null,null,null,null,null,null,null,null,null,null,"How to copy/paste a curve",null,null,null,6.3333333331490094,2.7722350461320491,7.7934717393860486E-2,5.6247686511731169E-2]
[29.592312754539307,8.4704538960139431,8.6351335225611656,1.3952687871227101,null,null,null,null,null,null,null,null,null,null,null,"Data ID on curves",null,null,null,6.4999999998108251,2.7869840745104462,0.10027017265848816,7.7743555597712385E-2]
[29.727469007775653,8.8064331886117166,8.8341611651758605,1.6289122911840936,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,6.6666666664726417,2.8060521892815613,0.12977091939814428,9.9239424683735242E-2]
[29.826065547240432,9.0470594645874822,8.9982103608112141,1.7625324468647061,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,6.8333333331344575,2.8305753583805182,0.16444787681136983,9.8179232749377676E-2]
[29.901051959313918,8.9214273543590199,9.1314771179734837,1.8447043942775987,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,6.9999999997962732,2.8605113701517841,0.19363480334919192,7.6963547539546429E-2]
[29.962520969274919,9.1409056011009717,9.2451473863973401,1.8821441842181079,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,7.1666666664580898,2.8947231343978994,0.21574983461475986,5.5747854336026123E-2]
[30.018881628348026,9.3198510455583126,9.3512561440971069,1.8794345720166077,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,7.3333333331199055,2.9320320019069879,0.23079297060807366,3.4532161132589098E-2]
[30.077913562126923,9.6426810772611162,9.4620591570341315,1.8363361494087844,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,7.4999999997817213,2.9712593234671738,0.23876421133179784,1.3316475922674577E-2]
[30.147781588311773,9.6630212543003005,9.5895887346914996,1.7496322992318376,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,7.6666666664435379,3.0112264510722939,0.23966491348468583,-7.4464194814107846E-3]
[30.23810956365196,9.8054199161609681,9.7447987845771884,1.5996873874840556,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,7.8333333331053536,3.0510147381141026,0.2380976011647124,-1.9629418092375695E-3]
[30.361222689680289,10.1009536653353,9.9329995171793826,1.3519190895006081,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,7.9999999997671694,3.090693972992467,0.23835811535094331,3.5205438567079569E-3]
[30.533670484146569,10.113295776244147,10.145182769679167,1.0227742749426432,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,8.166666666428986,3.1305687934582704,0.2404464560380494,9.0040135352753951E-3]
[30.778127179655712,10.440725985515027,10.355608730750546,0.63017830603041758,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,8.3333333330908026,3.1709438372623948,0.24436262323668889,1.4487499201137654E-2]
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{"sheet":"+Eva","index":7,"n_rows":4,"n_cols":3,"rows_kept":4,"cut":false,"hidden":false,"merged":[]}
[null,"           ","Compilation of titration data and essential results obtained with the Evaluation module"]
[]
[]
[null,"Identify the results and add observations (use any gray cell)"]

{"sheet":"Regression","index":8,"n_rows":162,"n_cols":50,"rows_kept":162,"cut":false,"hidden":false,"merged":[]}
[null,"          Titration Data Analysis - Multiple Regression",null,null,null,null,"<--- read important remarks and instructions",null,null,null," pKas of the acids and bases in the solution",null,null,"Click on K2 to Q2; select acids/bases; click on J2; other options, read M1",null,null,null,null,null,null,"          Overall protonation constants = bp = PKp (calculated by the program)",null,null,null,null,null,null,null,null,null,null,"       pKas loaded from the Database ",null,null,null,null,null,null,null,null,null,"Besides enabled macros, the Regression module also requires the Solver,"]
["     Composition of the sample (regression fit, in blue, and equilibrium at initial pH) and of the titrant; all concentrations in mol/L",null,null,null,null,null,null,null,null,null,62,103,31,1,2,3,6,null,"Titrant",null,null,"Titrand",null,null,null,null,null,null,"Titrant",null,null,null,"    Titrand","Click on J2 to use these pKas in the Regression",null,null,null,null,null,null,null,"an Add-In supplement provided by Microsoft with the Office package"]
["SAMPLE\nSpecies",{"$f":"K3","v":"Citric acid"},{"$f":"L3","v":"Glycine"},"Ascorbic acid ","Acetic acid","Ammonia","Carbonic acid","HCl",null,"Acid / Base","Citric acid","Glycine","Ascorbic acid ","Acetic acid","Ammonia","Carbonic acid","HCl","Strong ACID","Strong BASE","Carbonic ac.","Acid / Base",{"$f":"K3","v":"Citric acid"},"Glycine","Ascorbic acid ","Acetic acid","Ammonia","Carbonic acid","HCl","Strong ACID","Strong BASE","Carbonic ac.","Acid / Base",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,2))","v":"Citric acid"},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,2))","v":"Glycine"},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,2))","v":"Ascorbic acid "},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,2))","v":"Acetic acid"},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,2))","v":"Ammonia"},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,2))","v":"Carbonic acid"},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,2)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,2))","v":"HCl"},null,null,"If not already installed, follow the instructions (may change a bit, for different Excel versions)"]
["[B]",{"$f":"IF(K5=\"\",0,(B$11)/M$41)","v":8.6315182330722771E-8},3.6559864848789507E-9,0,0,0,{"$f":"IF(P5=\"\",0,(G$11)/R$41)","v":0},0,null,"Charge of B",-3,-1,-2,-1,0,-2,-1,-1,-1,-2,"Charge of B",{"$f":"IF(K4=\"\",\"\",K4)","v":-3},{"$f":"IF(L4=\"\",\"\",L4)","v":-1},-2,-1,0,-2,-1,-1,-1,-2,"Charge of  B",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,3))","v":-3},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,3))","v":-1},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,3))","v":-2},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,3))","v":-1},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,3))","v":0},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,3))","v":-2},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,3)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,3))","v":-1},null,null,"1. Open a new blank Excel spreadsheet "]
["[HB]",{"$f":"IF(K5=\"\",0,(B$11*(V$5*$AU41^(-2*V$4))*$D41)/M$41)","v":1.6953680886593644E-4},2.6273520935251777E-2,0,0,0,0,0,null,"pKa1",3.1280000000000001,2.35,4.0999999999999996,4.7569999999999997,9.2439999999999998,6.3520000000000003,-7,-7,13.997,6.3520000000000003,"bp1",{"$f":"IF(K5=\"\",\"1E-10\",IF(K6=\"\",10^K5,(IF(K7=\"\",10^K6,(IF(K8=\"\",10^K7,(IF(K9=\"\",10^K8,(IF(K10=\"\",10^K9,10^K10))))))))))","v":2488857.3182823951},5997910762.5551224,616595001861.48279,57147.863667186728,1753880501.8417609,21330449131.465843,9.9999999999999995E-8,{"$f":"IF(R5=\"\",\"1E-10\",IF(R6=\"\",10^R5,(IF(R7=\"\",10^R6))))","v":9.9999999999999995E-8},{"$f":"IF(S5=\"\",\"1E-10\",IF(S6=\"\",10^S5,(IF(S7=\"\",10^S6))))","v":99311604842093.641},{"$f":"IF(T5=\"\",\"1E-10\",IF(T6=\"\",10^T5,(IF(T7=\"\",10^T6))))","v":21330449131.465843},"pKa1 = logKpn",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,4))","v":3.1280000000000001},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,4))","v":2.35},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,4))","v":4.0999999999999996},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,4))","v":4.7569999999999997},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,4))","v":9.2439999999999998},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,4))","v":6.3520000000000003},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,4)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,4))","v":-7}]
["[H2B]",{"$f":"IF(K6=\"\",0,(B$11*(V$6*$AU41^(-4*V$4-2))*$D41^2)/M$41)","v":9.5084397285415002E-3},8.6836120703942098E-3,0,0,0,0,0,null,"pKa2",4.7610000000000001,9.7780000000000005,11.79,"","",10.329000000000001,"",null,null,10.329000000000001,"bp2",{"$f":"IF(K6=\"\",\"10E-10\",IF(K7=\"\",V5*10^K5,(IF(K8=\"\",V5*10^K6,(IF(K9=\"\",V5*10^K7,(IF(K10=\"\",V5*10^K8,V5*10^K9))))))))","v":143548943335.36603},{"$f":"IF(L6=\"\",\"1E-10\",IF(L7=\"\",W5*10^L5,(IF(L8=\"\",W5*10^L6,(IF(L9=\"\",W5*10^L7,(IF(L10=\"\",W5*10^L8,W5*10^L9))))))))","v":1342764961137.8711},7762471166286925,"1E-10","1E-10",4.7973344863669224E+16,"1E-10",{"$f":"IF(R6=\"\",\"1E-10\",IF(R7=\"\",AC5*10^R5))","v":"1E-10"},{"$f":"IF(S6=\"\",\"1E-10\",IF(S7=\"\",AD5*10^S5))","v":"1E-10"},{"$f":"IF(T6=\"\",\"1E-10\",IF(T7=\"\",AE5*10^T5))","v":4.7973344863669224E+16},"pKa2 = logKpn-1",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,5))","v":4.7610000000000001},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,5))","v":9.7780000000000005},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,5))","v":11.79},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,5))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,5))","v":10.329000000000001},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,5)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,5))","v":""},null,null,"2. Click on the File tab (or the Office button, in Windows XP)(top left corner)"]
["[H3B]",{"$f":"IF(K7=\"\",0,(B$11*(V$7*$AU41^(-6*V$4-6))*$D41^3)/M$41)","v":1.5297587753960718E-2},0,0,0,0,0,0,null,"pKa3",6.3959999999999999,"","","","","","",null,null,null,"bp3",{"$f":"IF(K7=\"\",\"1E-10\",IF(K8=\"\",V6*10^K5,(IF(K9=\"\",V6*10^K6,(IF(K10=\"\",V6*10^K7,V6*10^K8))))))","v":192752491319094.31},"1E-10","1E-10","1E-10","1E-10","1E-10","1E-10",null,null,null,"pKa3 = logKpn-2",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,6))","v":6.3959999999999999},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,6))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,6)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,6))","v":""}]
["[H4B]",{"$f":"IF(K8=\"\",0,(B$11*(V$8*$AU41^(-8*V$4-12))*$D41^4)/M$41)","v":0},0,0,0,0,0,0,null,"pKa4","","","","","","","","pKw",null,null,"bp4",{"$f":"IF(K8=\"\",\"1E-10\",IF(K9=\"\",V7*10^K5,(IF(K10=\"\",V7*10^K6,V7*10^K7))))","v":"1E-10"},"1E-10","1E-10","1E-10","1E-10","1E-10","1E-10","Kw",null,null,"pKa4 = logKpn-3",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,7))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,7)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,7))","v":""},null,null,"3. Click on \"Options\" (bottom left)",null,null,null,"Window for Mac:  skip step 2, click \"Tools\""]
["[H5B]",{"$f":"IF(K9=\"\",0,(B$11*(V$9*$AU41^(-10*V$4-20))*$D41^5)/M$41)","v":0},0,0,0,0,0,0,"Total","pKa5","","","","","","","",13.997,null,null,"bp5",{"$f":"IF(K9=\"\",\"1E-10\",IF(K10=\"\",V8*10^K5,V8*10^K6))","v":"1E-10"},"1E-10","1E-10","1E-10","1E-10","1E-10","1E-10",{"$f":"10^-R9","v":1.0069316688518014E-14},null,null,"pKa5 = logKpn-4",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,8))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,8)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,8))","v":""}]
["[H6B]",{"$f":"IF(K10=\"\",0,(B$11*(V$10*$AU41^(-12*V$4-30))*$D41^6)/M$41)","v":0},0,0,0,0,0,0,"SS","pKa6","","","","","","","",null,null,null,"bp6",{"$f":"IF(K10=\"\",\"1E-10\",V9*10^K5)","v":"1E-10"},"1E-10","1E-10","1E-10","1E-10","1E-10","1E-10",null,null,null,"pKa6 = logKpn-5",{"$f":"IF(VLOOKUP(K$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(K$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(L$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(L$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(M$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(M$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(N$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(N$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(O$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(O$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(P$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(P$2,Database!$B$22:$N$301,9))","v":""},{"$f":"IF(VLOOKUP(Q$2,Database!$B$22:$N$301,9)=\"\",\"\",VLOOKUP(Q$2,Database!$B$22:$N$301,9))","v":""},null,null,"4. Click on \"Add-ins\" (bottom left)"]
["S[HiB]",2.4975650606550482E-2,3.4957136661632471E-2,0,0,0,0,0,{"$f":"SUM(B11:H11)","v":5.9932787268182949E-2},"SS[bases]","","","","  Correction of the pH sensor calibration",null,null,"        Ionic Strength, I (initial)",null,"Sample ions","Titrant ions",null,null,null,null,"   Overall apparent constants recalculated for applied initial I =",{"$f":"AT41","v":1.0304609059607301E-2},"and g H+=",{"$f":"S22","v":1.0304609059607301E-2},"recalc. for","g H+=",0.78159394404584626]
["S[H] bound",{"$f":"B5+2*B6+3*B7+4*B8+5*B9+6*B10","v":6.5079179527831099E-2},4.3640745076040197E-2,0,0,0,0,0,{"$f":"SUM(B12:H12)","v":0.1087199246038713},"SS[H] bound",null,null,null," Intersection pH (may be fitted)",null,7,"Other ions","SCk(z=1)",0,0,"bp1",{"$f":"IF(K5=\"\",\"\",(V5*$AB$11^(-2*V$4)))","v":2.97981375078209E-6},636887.96161708527,6952.2611927247908,6.068244067415991,1753880501.8417609,240.5060911495913,1.0618496787134085E-11,6.1088909336914144E-8,60668376243021.023,7960213991.5395746,null,null,null,null,null,null,null,null,null,null,"5. Click on \"Solver\" in the Add-Ins list",null,null,null,"Window for Mac:  check the Solver box; skip 6 na 7"]
["max. free H ",{"$f":"IF(K4=\"\",\"0\",(-K4*B11)-B12)","v":9.8477722918203503E-3},{"$f":"IF(L4=\"\",\"0\",(-L4*C11)-C12)","v":-8.6836084144077258E-3},0,0,0,0,0,{"$f":"SUM(B13:H13)","v":1.1641638774126245E-3},"SS[H] max. free H+ ","(negative results are possible)",null,null," Slope (may be fitted, read comment)",null,1,"mol/L","SCk(z=2)",0,0,"bp2",{"$f":"IF(K6=\"\",\"\",(V6*$AB$11^(-4*V$4-2)))","v":1.9378278799095501E-9},{"$f":"IF(L6=\"\",\"\",(W6*$AB$11^(-4*W$4-2)))","v":142581454.2571871},9293.7100698541399,"","",57436.652413014323,"",null,null,1.0936720523492714E+16]
["TITRANT",{"$f":"R3","v":"Strong ACID"},{"$f":"S3","v":"Strong BASE"},{"$f":"T3","v":"Carbonic ac."},null,"Volume of Titrand (mL)",null,"Sample",{"$f":"I18-(I12+I13)","v":1.1415796173058768E-4},"Partial charge balance <--> counterions (opposite signal)",null,null,{"$f":"S15","v":-3.1216166720233942E-4},null," Davies equation parameters",null,"(z = ion charge)","1/2.SCkzk2 = Ik",{"$f":"0.5*(S12+S13*4)","v":0},{"$f":"0.5*(T12+T13*4)","v":0},"bp3",{"$f":"IF(K7=\"\",\"\",(V7*$AB$11^(-6*V$4-6)))","v":2.7629831721762403E-10},{"$f":"IF(L7=\"\",\"\",(W7*$AB$11^(-6*W$4-6)))","v":""},"","","","","",null,null,null,null,null,null,null,null,null,null,null,null,null,"6. Click on \"Go\" near the bottom of the page"]
["[B]",null,0.1,null,"SAMPLE","Water","Total","Titrand [H]=10-p[H]",{"$f":"D41","v":1.4763255530189847E-3},{"$f":"IF(C41=\"\",B41,C41)","v":2.8821711540222168},"  initial p[H]",null,null,null," for activity coefficient estimation",null,"Minimum","SzjCj",{"$f":"-(S18/S17) - (G16/E16)*(S24- $AC$9/AU41^2/S24)","v":-3.1216166720233942E-4},{"$f":"-T18/T17 - (T24- $AC$9/AE11^2/T24)","v":9.9999999847131427E-2},"bp4",{"$f":"IF(K8=\"\",\"\",(V8*$AB$11^(-8*V$4-12)))","v":""},{"$f":"IF(L8=\"\",\"\",(W8*$AB$11^(-8*W$4-12)))","v":""},"","","","",""]
["[HB]",null,null,null,20,0,{"$f":"E16+F16","v":20},"Titrand [OH]=Kw/[H]",{"$f":"AB21/I15","v":8.4040050513315651E-12},{"$f":"-LOG(AB21)-J15","v":11.024160404389638},"  initial p[OH] for ionic strength, I",null,{"$f":"AT41","v":1.0304609059607301E-2},null,"A ",0.50900000000000001,"of counterions","1/2.SCjzj2 = Ij",{"$f":"0.5*S17^2*ABS(S15)","v":1.5608083360116971E-4},{"$f":"0.5*T17^2*ABS(T15)","v":4.9999999923565713E-2},"bp5",{"$f":"IF(K9=\"\",\"\",(V9*$AB$11^(-10*V$4-20)))","v":""},{"$f":"IF(L9=\"\",\"\",(W9*$AB$11^(-10*W$4-20)))","v":""},"","","","","",null,null,null,null,null,null,null,null,null,null,null,null,null,"7. Check Solver add-in in the pop-on box "]
["[H2B]",null,null,null,"SS",null,null,"Sample CHcalc",{"$f":"I12+ (G16/E16)*(I15-I16)","v":0.11019625014848627},null,null,null,null,null,"b",0.3,"for acids/bases","Counterion charge",1,1,"bp6",{"$f":"IF(K10=\"\",\"\",(V10*$AB$11^(-12*V$4-30)))","v":""},{"$f":"IF(L10=\"\",\"\",(W10*$AB$11^(-12*W$4-30)))","v":""},"","","","",""]
["S[HiB]",{"$f":"B15+B16+B17","v":0},{"$f":"C15+C16+C17","v":0.1},{"$f":"D15+D16+D17","v":0},{"$f":"SUM(B18:D18)","v":0.1},"SS[HiB]",null,"Sample CHReg",0.10999824644301451,"<--- Find CHReg, concentrations (line 11, in blue) and pKas with Solver",null,null,null,null,null,null,"Acid/base ions","SziCi",{"$f":"SUM(V18:AB18)","v":-1.1641638774126401E-3},{"$f":"SUM(AC18:AE18)","v":-8.3920216763791102E-3},"SziCi",{"$f":"K4*B4+(K4+1)*B5+(K4+2)*B6+(K4+3)*B7+(K4+4)*B8+(K4+5)*B9+(K4+6)*B10","v":-9.8477722918203659E-3},8.6836084144077258E-3,0,0,0,0,0,0,-8.3920216763791102E-3,0,null,null,null,null,null,null,null,null,null,null,"8. Click OK; follow steps 1 to 8 only once on each computer"]
["S[H]",{"$f":"B16+2*B17","v":0},{"$f":"C16+2*C17","v":0},{"$f":"D16+2*D17","v":0},{"$f":"SUM(B19:D19)","v":0},"SS [H]          pH",12.851914484031605,"S(|RCH|a×|dpH|b×|RpH|c)",{"$f":"SUM($G$41:$G$162)","v":2.1567005030259453E-6},"<--- Minimize S of weighted residuals product with Solver",null,null,null,null,null,null,"at given pH","1/2.SCizi2 = Ii",{"$f":"0.5*SUM(V19:AB19)","v":9.4354897635134591E-3},{"$f":"0.5*(SUM(AC19:AE19))","v":4.1960108381895551E-3},"Szi2Ci",{"$f":"V4^2*B4+(V4+1)^2*B5+(V4+2)^2*B6+(V4+3)^2*B7+(V4+4)^2*B8+(V4+5)^2*B9+(V4+6)^2*B10","v":1.0187363800646223E-2},8.6836157263806939E-3,0,0,0,0,0,0,8.3920216763791102E-3,0]
[null,null,null,null,null,null,null,"Weights: exponent a",2,"exponent b   ",0,"exponent c  ",0,null,null,null,"Total I ","I = Ii+Ij+Ik+IH+IOH",{"$f":"S19+S16+S14+0.5*S24/L41+0.5*S25/L41","v":1.0329733377826125E-2},{"$f":"T19+T16+T14+0.5*T24+0.5*T25","v":9.9999999847311352E-2},null,null,null,null,null,null,null,"Kw","Kw",null,null,null,null,null,null,null,null,null,null,null,null,"9. Open the CurTiPot file and click on the Regression lower tab"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Action","Parameter","Titrand","Titrant",null,null,null,null,null,null,null,{"$f":"AC9/S23^2","v":1.2407047404981413E-14},{"$f":"AC9/T23^2","v":1.6483051993913136E-14}]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"I",{"$f":"AT41","v":1.0304609059607301E-2},9.9999999823575547E-2,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"10. Click on the upper Data tab and click on Solver in the Analysis group (at the right)"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"     CHreg - Chcalc residuals",null,null,null,"g H+",{"$f":"AU41","v":0.90087758077147917},0.78159394404584626]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"Mean",{"$f":"AVERAGE(H41:H140)","v":9.4488863044966643E-6},null,null,"[H+]",{"$f":"D41","v":1.4763255530189847E-3},1.7993031090760725E-13,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"To learn from the authors' of Excel Solver about the design, uses and limitations"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"Median",{"$f":"MEDIAN(H41:H140)","v":-8.4326368996745504E-6},null,null,"[OH-]",{"$f":"AB21/D41","v":8.4040050513315651E-12},9.1607978170932247E-2,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"of the generalized reduced gradient method of nonlinear optimization, visit"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"Std. Deviation",{"$f":"STDEV(H42:H141)","v":1.7473417217269037E-4},null,null,"pH",{"$f":"IF(C41=\"\",B41,C41)","v":2.8821711540222168},12.851914484031605,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"https://www.solver.com/excel-solver-online-help"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"RSD, %",{"$f":"100*O26/I17","v":0.1585663504313814},null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"https://faculty.insead.edu/delquie/msp/Download%20Solutions/Design%20and%20Use%20of%20Solver.pdf"]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Color  coding"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"D  o     n  o  t     c  h  a  n  g  e "]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"     pHreg - pH residuals",null,null,null," C h a n g e   c r i t e r i o u s l y"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"Mean",{"$f":"AVERAGE(F41:F140)","v":-1.4575537796831565E-4},null,null,"Fill out, change or leave blank"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"Median",{"$f":"MEDIAN(F41:F140)","v":1.1356660588752732E-3}]
[null,null,null,null,null,null,null,null,null,null,null,null,null,"Std. Deviation",{"$f":"STDEV(F41:F140)","v":1.8870738102035666E-2}]
[]
[]
[]
["    Spreadsheet for 160 data pairs; it can be expanded or shortened (to gain speed).",null,null,null,null,null,"To modify the axis of a plot or copy a figure, see instructions in cells  R43, 44 and 45 of Evaluation"]
["Vol. added","simulated or","calculated pH","[H]","dpH/dV","pHreg-pH","Weighting","CHReg-CHcalc","CHReg","CHcalc","Dill. Titrant","Dil Titrand","den1","den2","den3","den4","den5","den6","den7","den1 titrant","den2 titrant","den3 titrant","h1","h2","h3","h4","h5","h6","h7","h1 titrant","h2 titrant","h3 titrant","I1","I2","I3","I4","I5","I6","I7","I1 titrant","I2 titrant","I3 titrant","Ipartial","Itotal","Click C22","I total","g H+",null,"pHReg- pH","Reject "]
["(mL)","measured pH","from regression","mol/L","for data weighting","for data weighting","factors","mol/L","mol/L","mol/L",null,null,{"$f":"K3","v":"Citric acid"},"Glycine","Ascorbic acid ","Acetic acid","Ammonia","Carbonic acid","HCl","Strong ACID","Strong BASE","Carbonic ac.",{"$f":"K3","v":"Citric acid"},"Glycine","Ascorbic acid ","Acetic acid","Ammonia","Carbonic acid","HCl","Strong ACID","Strong BASE","Carbonic ac.",{"$f":"K3","v":"Citric acid"},"Glycine","Ascorbic acid ","Acetic acid","Ammonia","Carbonic acid","HCl",{"$f":"R3","v":"Strong ACID"},{"$f":"S3","v":"Strong BASE"},{"$f":"T3","v":"Carbonic ac."},"mol/L","mol/L","to update AT -->","applied\nmol/L","applied",null,null,"with X"]
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{"sheet":"Database","index":11,"n_rows":301,"n_cols":26,"rows_kept":301,"cut":false,"hidden":false,"merged":[]}
[null,"           ","                Database of dissociation constants of acids / protonation constants of bases"]
[null,"Most constants in this compilation of ~250 systems – but not all – were obtained at 25o C and are thermodynamic ones (I=0), as required by the pH_calc, Simulation and Regression modules."]
[null,"No guarantee is given that the compiled pKas or the calculations made with CurTiPot are correct or accurate. CurTiPot takes in account only protonation equilibria but other chemical reactions will occur for many combinations of two or more of the listed systems. "]
[null,"More systems, e.g., from the sources given next,  can be added: a) at the end of the list; b) in alphabetic order by inserting line(s) and updating the sequential numbering (column B)."]
[null,"Larger compilations of equilibrium constants and examples of on-line literature on acid-base equilibrium"]
[null,"Mini-SCDatabase - Stability (equilibrium) constants with temperature and ionic stregth effect correction ",null,null,null,null,null,null,"http://www.acadsoft.co.uk/scdbase/scdbase.htm",null,null,null,"Tutorial on acids and bases (and other) equilibria",null,null,null,null,null,"http://www.asdlib.org/onlineArticles/ecourseware/Text_Files_files/Chapter6.pdf"]
[null,"Dissociation constants of  inorganic and organic compounds (compilation with 33 pages)",null,null,null,null,null,"https://www.chem.wisc.edu/areas/reich/pkatable/pKa_compilation-1-Williams.pdf",null,null,null,null,"Tutorial on titrations of acids and bases",null,null,null,null,null,"http://www.asdlib.org/onlineArticles/ecourseware/Text_Files_files/Chapter9.pdf"]
[null,"Dissociation constants of organic compounds (~600 compounds)",null,null,null,null,null,"http://www.zirchrom.com/organic.htm",null,null,null,null,"Measurement of pH. Definitions, Standards and Procedures (IUPAC - 2002) ",null,null,null,null,null,"http://www.iupac.org/publications/pac/2002/pdf/7411x2169.pdf"]
[null,"Computer calculated pKa values of any compound (by chemical name, CAS #, etc.) ",null,null,null,null,null,"http://www.chemicalize.org/",null,null,null,null,"Temperature dependence of potassium hydrogen phtalate 0.05 mol/kg buffer",null,null,null,null,null,"http://nvl.nist.gov/pub/nistpubs/jres/081/1/V81.N01.A03.pdf"]
[null,"Martell, A. E., Smith, R. M., Critical Stability Constants, Vol. 1–4. Plenum Press: New York, 1976.",null,null,null,null,null,null,null,null,null,null,"Primary standard buffer solutions pH at various temperatures",null,null,null,null,null,"http://nvl.nist.gov/pub/nistpubs/jres/066/2/V66.N02.A06.pdf"]
[null,"Perrin, D. D., Dissociation Constants of Organic Bases in Aqueous Solution, Butterworths, London, 1965; Supplement, 1972.",null,null,null,null,null,null,null,null,null,null,"Water,  hydrogen ion, hydroxide ion structures, properties, Kw, pH ",null,null,null,null,null,"http://www1.lsbu.ac.uk/water/hydrogen_ions.html"]
[null,"Serjeant, E. P., and Dempsey, B., Ionization Constants of Organic Acids in Aqueous Solution, Pergamon, Oxford, 1979.",null,null,null,null,null,null,null,null,null,null,"Buffer Reference Center",null,null,"https://www.sigmaaldrich.com/life-science/core-bioreagents/biological-buffers/learning-center/buffer-reference-center.html"]
[null,"Albert, A., \"Ionization Constants of Heterocyclic Substances\", in Physical Methods in Heterocyclic Chemistry, Katritzky, A. R., Ed., Academic Press, New York, 1963. ",null,null,null,null,null,null,null,null,null,null,"Online Buffer Calculator",null,null,"http://www.sigmaaldrich.com/life-science/core-bioreagents/biological-buffers/learning-center/buffer-calculator.html"]
[null,"Perrin, D. D., Dempsey, B., and Serjeant, E. P., pKa Prediction for Organic Acids and Bases, Chapman & Hall, London, 1981."]
[null,"Dawson, R. M. C., Elliot, D. C., Elliot, W. H., and Jones, K. M., Data for Biochemical Research, Oxford Science Publications, Oxford, 1986.",null,null,null,null,null,null,null,null,null,null,"Conversion of dissociation constants of acids into protonation constants of their conjugated bases"]
[null,"Acid base indicators - pKas, color transitions, etc.",null,null,null,null,null,null,null,null,null,null,"pKa1 = logKpn","pKa4 = logKpn-3",null,"Overall (global) protonation constants"]
[null,"Estimation of activity coefficients, gi, within CurTiPot - Davies equation:",null,null,null,null,null,null,null,"Ionic strength =",null,null,"pKa2 = logKpn-1","pKa5 = logKpn-4",null,"logbp,i = logSKp and bp,i = PKp"]
[null,null,null,null,null,null,null,null,null,null,null,null,"pKa3 = logKpn-2","pKa6 = logKpn-5"]
[null,null,"Acid or Base","Charge, fully",null,null,null,null,null,null,"Temperat.","Ionic",null,"Molar mass"]
[null,null,null,"deprotonated","pKa1","pKa2","pKa3","pKa4","pKa5","pKa6","ºC","strength","  Formula","g/mol"]
[null,null,"F R E Q U E N T L Y    U S E D "]
[null,1,"Acetic acid",-1,4.7569999999999997,null,null,null,null,null,25,0,"CH3COOH",60.052]
[null,2,"Ammonia",0,9.2439999999999998,null,null,null,null,null,25,0,"NH3",17.026]
[null,3,"Carbonic acid",-2,6.3520000000000003,10.329000000000001,null,null,null,null,25,0,"H2CO3"]
[null,4,"Citric acid",-3,3.1280000000000001,4.7610000000000001,6.3959999999999999,null,null,null,25,0,"H3C6H5O7 ",192.02699999999999]
[null,5,"EDTA",-4,-0.21,1.5,2.21,3.11,6.75,11.03,25,0,"C10H16N2O8",292.08999999999997]
[null,6,"HCl",-1,-7,null,null,null,null,null,25,0,"HCl"]
[null,7,"Hydroxide ion",-1,13.997,null,null,null,null,null,25,0,"NaOH"]
[null,8,"Phosphoric acid",-3,2.1480000000000001,7.1989999999999998,12.35,null,null,null,25,0,"H3PO4",97.975999999999999]
[null,9,null,0,0]
[null,10,null,0,0]
[null,11,"A L P H A B E T I C   O R D E R ",null,"   Insert new lines anywere to add more systems; renumber column B",null,null,null,null,null,"Find more values in the references and links"]
[null,12,"Acetamide ",0,0.63,null,null,null,null,null,25,0,"C2H5NO ",59.067]
[null,13,"Acetic acid",-1,4.7569999999999997,null,null,null,null,null,25,0,"CH3COOH",60.052]
[null,14,"Acetoacetic acid ",-1,3.58,null,null,null,null,null,18,0,"C4H6O3 ",102.089]
[null,15,"Acrylic acid ",-1,4.25,null,null,null,null,null,25,0,"C3H4O2 ",72.063000000000002]
[null,16,"Adipic acid ",-2,4.43,5.41,null,null,null,null,25,0,"C6H10O4 ",146.143]
[null,17,"Alanine ",-1,2.3479999999999999,9.8670000000000009,null,null,null,null,25,0,"C3H7NO2",89.093999999999994]
[null,18,"Aminobenzene = aniline",0,4.5999999999999996,null,null,null,null,null,25,0,"C6H7N",93.13]
[null,19,"2-Aminobenzoic acid ",-1,2.1080000000000001,4.9459999999999997,null,null,null,null,25,0,"C7H7NO2 ",137.13800000000001]
[null,20,"4-Animobenzoic acid ",-1,2.5009999999999999,4.8739999999999997,null,null,null,null,25,0,"C7H7NO2 ",137.13800000000001]
[null,21,"2-Aminobutanoic acid ",-1,2.29,9.83,null,null,null,null,25,0,"C4H9NO2 "]
[null,22,"6-Aminohexanoic acid ",-1,4.3730000000000002,10.804,null,null,null,null,25,0,"C6H13NO2 "]
[null,23,"5-Aminopentanoic acid ",-1,4.2699999999999996,10.766,null,null,null,null,25,0,"C5H11NO2 "]
[null,24,"2-Aminophenol",-1,4.78,9.9700000000000006,null,null,null,null,20,0,"C6H7NO"]
[null,25,"b-Alanine ",-1,3.55,10.24,null,null,null,null,25,0,"C3H7NO2 "]
[null,26,"Ammonia",0,9.2439999999999998,null,null,null,null,null,25,0,"NH3",17.026]
[null,27,"Aniline ",0,4.63,null,null,null,null,null,25,0,"C6H7N "]
[null,28,"Arginine",-1,1.823,8.9909999999999997,12.48,null,null,null,25,0,"C6H14N4O2 "]
[null,29,"Arsenic acid ",-3,2.2400000000000002,6.96,11.5,null,null,null,25,0,"H3AsO4 "]
[null,30,"Arsenous acid",-1,9.2200000000000006,null,null,null,null,null,null,0,"H3AsO3 "]
[null,31,"Ascorbic acid ",-2,4.0999999999999996,11.79,null,null,null,null,24,0,"C6H8O6 "]
[null,32,"Asparagine",-1,2.14,8.93,null,null,null,null,25,0,"C4H8N2O3 "]
[null,33,"Aspartic acid ",-2,1.99,3.9,10.002000000000001,null,null,null,25,0,"C4H7NO4 "]
[null,34,"Barbital",0,7.43,null,null,null,null,null,25,0,"C8H12N2O3 ",184.19]
[null,35,"Barbituric acid ",-1,4.01,null,null,null,null,null,25,0,"C4H4N2O3 ",128.09]
[null,36,"Benzenesulfonic acid ",-1,0.7,null,null,null,null,null,25,0,"C6H6O3S "]
[null,37,"Benzoic acid ",-1,4.1900000000000004,null,null,null,null,null,25,0,"C7H6O2 "]
[null,38,"Benzylamine ",0,9.33,null,null,null,null,null,25,0,"C7H9N "]
[null,39,"2-Benzylpyridine ",0,5.13,null,null,null,null,null,25,0,"C12H11N "]
[null,40,"Betaine ",-1,1.83,null,null,null,null,null,0,0,"C5H11NO2 "]
[null,41,"Boric acid ",-3,9.2360000000000007,12.74,13.8,null,null,null,20,0,"H3BO3"]
[null,42,"Butanoic acid ",-1,4.83,null,null,null,null,null,25,0,"C4H8O2 "]
[null,43,"3-Butenoic acid ",-1,4.34,null,null,null,null,null,25,0,"C4H6O2 "]
[null,44,"Butylamine ",0,10.77,null,null,null,null,null,20,0,"C4H11N "]
[null,45,"sec-Butylamine ",0,10.56,null,null,null,null,null,25,0,"C4H11N "]
[null,46,"tert-Butylamine ",0,10.68,null,null,null,null,null,25,0,"C4H11N "]
[null,47,"Cadaverine ",0,10.050000000000001,10.93,null,null,null,null,25,0,"C5H14N2 "]
[null,48,"Carbonic acid",-2,6.3520000000000003,10.329000000000001,null,null,null,null,25,0,"H2CO3"]
[null,49,"Catechol",-2,9.4,12.8,null,null,null,null,25,0,"C6H4(OH)2",110.1]
[null,50,"Chloroacetic acid",-1,2.8650000000000002,null,null,null,null,null,25,0,"ClCH2COOH"]
[null,51,"2-Chloroaniline ",0,2.65,null,null,null,null,null,25,0,"C6H6CIN "]
[null,52,"3-Chloroaniline ",0,3.46,null,null,null,null,null,25,0,"C6H6CIN "]
[null,53,"4-Chloroaniline ",0,4.1500000000000004,null,null,null,null,null,25,0,"C6H6CIN "]
[null,54,"2-Chlorobenzoic acid ",-1,2.92,null,null,null,null,null,25,0,"C7H5CIO2 "]
[null,55,"3-Chlorobenzoic acid ",-1,3.82,null,null,null,null,null,25,0,"C7H5CIO2 "]
[null,56,"4-Chlorobenzoic acid ",-1,3.98,null,null,null,null,null,25,0,"C7H5CIO2 "]
[null,57,"3-Chlorophenol ",-1,8.85,null,null,null,null,null,25,0,"C6H5CIO "]
[null,58,"4-Chlorophenol ",-1,9.18,null,null,null,null,null,25,0,"C6H5CIO "]
[null,59,"2-Chlorophenol ",-1,8.49,null,null,null,null,null,25,0,"C6H5CIO "]
[null,60,"Choline ",0,13.9,null,null,null,null,null,25,0,"C5H14NO "]
[null,61,"Chromic acid",-2,-0.2,6.51,null,null,null,null,20,0,"H2CrO4"]
[null,62,"Citric acid",-3,3.1280000000000001,4.7610000000000001,6.3959999999999999,null,null,null,25,0,"H3C6H5O7 "]
[null,63,"Codeine ",0,8.2100000000000009,null,null,null,null,null,25,0,"C18H21NO3 "]
[null,64,"Creatinine ",0,4.83,9.1999999999999993,null,null,null,null,25,0,"C4H7N3O "]
[null,65,"m-Cresol ",-1,10.01,null,null,null,null,null,25,0,"C7H8O "]
[null,66,"O-Cresol ",-1,10.199999999999999,null,null,null,null,null,25,0,"C7H8O "]
[null,67,"p-Cresol ",-1,10.17,null,null,null,null,null,25,0,"C7H8O "]
[null,68,"Cupferron",-1,4.37,null,null,null,null,null,25,0,"C6H6N2O"]
[null,69,"Cyanic acid",-1,3.46,null,null,null,null,null,null,null,"HCNO "]
[null,70,"Cysteine ",-2,1.71,8.36,10.77,null,null,null,25,0,"C3H7NO2S "]
[null,71,"Decylamine ",0,10.64,null,null,null,null,null,25,0,"C10H23N "]
[null,72,"2,4-Diaminobutanoic acid ",-1,1.85,8.24,10.44,null,null,null,25,0,"C4H10N2O2 "]
[null,73,"Dichloroacetic acid",-1,1.3,null,null,null,null,null,25,0,"Cl2CHCOOH"]
[null,74,"2,3-Dichlorophenol ",-1,7.46,null,null,null,null,null,25,0,"C6H4Cl2O "]
[null,75,"Diethylamine",0,10.933,null,null,null,null,null,25,0,"(CH3CH2)2NH"]
[null,76,"Diisopropylamine ",0,11.05,null,null,null,null,null,25,0,"C6H15N "]
[null,77,"Dimethylamine",0,10.773999999999999,null,null,null,null,null,25,0,"(CH3)2NH"]
[null,78,"Dimethylglyoxime",-2,10.66,12,null,null,null,null,25,0,"C4H12O2N2"]
[null,79,"2,3-Dimethylpyridine ",0,6.58,null,null,null,null,null,25,0,"C7H9N "]
[null,80,"2,4-Dimethylpyridine ",0,6.99,null,null,null,null,null,25,0,"C7H9N "]
[null,81,"2,5-Dmethylpyridine ",0,6.4,null,null,null,null,null,25,0,"C7H9N "]
[null,82,"2,6-Dimethylpyridine ",0,6.65,null,null,null,null,null,25,0,"C7H9N "]
[null,83,"3,4-Dimethylpyridine ",0,6.46,null,null,null,null,null,25,0,"C7H9N "]
[null,84,"3.5-Dimethylpyridine ",0,6.15,null,null,null,null,null,25,0,"C7H9N "]
[null,85,"Dinicotinic acid ",-1,2.8,null,null,null,null,null,25,0,"C7H5NO4 "]
[null,86,"Diphenylamine ",0,0.79,null,null,null,null,null,25,0,"C12H11N "]
[null,87,"Dipicolinic acid ",-2,2.16,4.76,null,null,null,null,25,0,"C7H5NO4 "]
[null,88,"Dopamine ",-1,8.9,10.6,null,null,null,null,25,0,"C8H11NO2 ",153.18]
[null,89,"d-Ephedrine ",0,10.138999999999999,null,null,null,null,null,10,0,"C10H15NO ",165.23]
[null,90,"Ethanolamine ",0,9.5,null,null,null,null,null,25,0,"C2H7NO "]
[null,91,"Ethylamine",0,10.635999999999999,null,null,null,null,null,25,0,"CH3CH2NH2"]
[null,92,"Ethylenediamine",0,6.8479999999999999,9.9280000000000008,null,null,null,null,25,0,"H2NCH2CH2NH2"]
[null,93,"Ethylenediaminetetraacetic acid (EDTA)",-4,-0.21,1.5,2.21,3.11,6.75,11.03,25,0,"C10H16N2O8"]
[null,94,"Ethyleneimine ",0,8.01,null,null,null,null,null,25,0,"C2H5N "]
[null,95,"2-Ethylpyridine ",0,5.89,null,null,null,null,null,25,0,"C7H9N "]
[null,96,"Formic acid ",-1,3.7450000000000001,null,null,null,null,null,20,0,"HCOOH"]
[null,97,"Fumaric acid",-2,3.0529999999999999,4.4939999999999998,null,null,null,null,25,0,"C4H4O4 ",116.07]
[null,98,"L-Glutamic acid ",-2,2.23,4.42,9.9499999999999993,null,null,null,25,0,"C5H9NO4 ",147.13]
[null,99,"L-Glutamine ",-1,2.17,9.1300000000000008,null,null,null,null,25,0,"C5H10N2O3 ",146.15]
[null,100,"L-Glutathione ",-2,2.12,3.59,8.75,9.65,null,null,25,0,"C10H17N3O6S "]
[null,101,"Glyceric acid ",-1,3.52,null,null,null,null,null,25,0,"C3H6O4 "]
[null,102,"Glycerol ",-1,14.15,null,null,null,null,null,25,0,"C3H8O3 "]
[null,103,"Glycine",-1,2.35,9.7780000000000005,null,null,null,null,25,0,"H2NCH2COOH",75.069999999999993]
[null,104,"Glycolic acid",-1,3.831,null,null,null,null,null,25,0,"HOCH2COOH"]
[null,105,"Glyoxylic acid",-1,3.18,null,null,null,null,null,25,0,"C2H2O3 "]
[null,106,"Heptanedioic acid ",-1,4.71,null,null,null,null,null,25,0,"C7H12O4 "]
[null,107,"Heptanoic acid ",-1,4.8899999999999997,null,null,null,null,null,25,0,"C7H14O2 "]
[null,108,"Heptylamine ",0,10.67,null,null,null,null,null,25,0,"C7H17N "]
[null,109,"Hexamethylenediamine ",0,11.856999999999999,10.762,null,null,null,null,0,0,"C6H16N2 "]
[null,110,"Hexanoic acid ",-1,4.8499999999999996,null,null,null,null,null,25,0,"C6H12O2 "]
[null,111,"Hexylamine ",0,10.56,null,null,null,null,null,25,0,"C6H15N "]
[null,112,"Histamine ",0,6.04,9.75,null,null,null,null,25,0,"C5H9N3 "]
[null,113,"Histidine",-1,1.49,6.02,9.2899999999999991,null,null,null,25,0,"C6H9N3O2 "]
[null,114,"Hydrazine",0,8.07,null,null,null,null,null,30,null,"N2H4"]
[null,115,"Hydroazoic ",-1,4.72,null,null,null,null,null,null,null,"HN3 "]
[null,116,"Hydrogen bromide",-1,-9,null,null,null,null,null,25,0,"HI"]
[null,117,"Hydrogen chloride",-1,-7,null,null,null,null,null,25,0,"HCl"]
[null,118,"Hydrogen chromate ion ",-1,6.52,null,null,null,null,null,null,null,"HCrO4- "]
[null,119,"Hydrogen cyanide",-1,9.2100000000000009,null,null,null,null,null,25,0,"HCN"]
[null,120,"Hydrogen fluoride",-1,3.17,null,null,null,null,null,25,0,"HF"]
[null,121,"Hydrogen peroxide",-1,11.65,null,null,null,null,null,25,0,"H2O2"]
[null,122,"Hydrogen selenate ion ",-1,1.66,null,null,null,null,null,null,null,"HSeO4- "]
[null,123,"Hydrogen sulfide",-2,7.02,13.9,null,null,null,null,25,0,"H2S"]
[null,124,"Hydrogen thiocyanate ",-1,0.9,null,null,null,null,null,25,0,"HSCN"]
[null,125,"Hydroquinone ",0,10.35,null,null,null,null,null,20,null,"C6H6O2 "]
[null,126,"Hydroxylamine",0,5.96,null,null,null,null,null,25,0,"NH2OH"]
[null,127,"m-Hydroxybenzoic acid ",-2,4.0599999999999996,9.92,null,null,null,null,19,0,"C7H6O3 "]
[null,128,"p-Hydroxybenzoic acid ",-2,4.4800000000000004,9.32,null,null,null,null,19,0,"C7H6O3 "]
[null,129,"3-Hydroxypropanoic acid ",-1,4.51,null,null,null,null,null,25,0,"C3H6O3 "]
[null,130,"8-Hydroxyquinoline",-1,4.91,9.81,null,null,null,null,25,0]
[null,131,"Hypobromous",-1,8.6300000000000008,null,null,null,null,null,25,0,"HOBr"]
[null,132,"Hypochlorous",-1,7.53,null,null,null,null,null,25,0,"HOCl"]
[null,133,"Hypoiodous",-1,10.64,null,null,null,null,null,25,0,"HOI"]
[null,134,"Imidazole ",0,6.9530000000000003,null,null,null,null,null,25,0,"C3H4N2 ",68.08]
[null,135,"Iodic acid",-1,0.77,null,null,null,null,null,25,0,"HIO3"]
[null,136,"Isocitric acid ",-3,3.29,4.71,6.4,null,null,null,25,0,"C6H8O7 "]
[null,137,"Isoleucine",-1,2.319,9.7539999999999996,null,null,null,null,25,0,"C6H13NO2 ",131.18]
[null,138,"Lactic acid",-1,3.86,null,null,null,null,null,null,null,"HC3H5O3 "]
[null,139,"l-Ephedrine ",0,9.9580000000000002,null,null,null,null,null,10,0,"C10H15NO ",165.23]
[null,140,"l-Leucine ",-1,2.3279999999999998,9.7439999999999998,null,null,null,null,25,0,"C6H13NO2 "]
[null,141,"Lysine ",-1,1.83,9.08,10.9,null,null,null,25,0,"C6H14N2O2 "]
[null,142,"Maleic acid ",-2,1.91,6.3319999999999999,null,null,null,null,25,0,"C4H4O4 "]
[null,143,"Malic acid ",-2,3.4590000000000001,5.0970000000000004,null,null,null,null,25,0,"C4H6O5 "]
[null,144,"Malonic acid",-2,2.847,5.6959999999999997,null,null,null,null,25,0,"HOOCCH2COOH"]
[null,145,"Melamine = 1,3,5-triazine-2,4,6-triamine",0,5,null,null,null,null,null,25,0,"C3H6N6 "]
[null,146,"Methionine = (S)-2-amino-4-(methylsulfanyl)-butanoic acid",-1,2.13,9.27,null,null,null,null,25,0,"C5H11NO2S "]
[null,147,"Methylamine ",0,10.63,null,null,null,null,null,25,0,"CH5N ",31.1]
[null,148,"2-Methylaniline = o-touidine = 2-amino-1-methylbenzene",0,4.4470000000000001,null,null,null,null,null,25,0,"C7H9N","107.17"]
[null,149,"4-Methylaniline = p-toluidine = 4-amino-1-methylbenzene",0,5.0839999999999996,null,null,null,null,null,25,0,"C7H9N","107.17"]
[null,150,"2-Methylbenzimidazole ",0,6.19,null,null,null,null,null,25,0,"C8H8N2 "]
[null,151,"2-Methylbutanoic acid ",-1,4.8,null,null,null,null,null,25,0,"C5H10O2 "]
[null,152,"3-Methylbutanoic acid ",-1,4.7699999999999996,null,null,null,null,null,25,0,"C5H10O2 "]
[null,153,"Methylmalonic acid ",-2,3.07,5.76,null,null,null,null,25,0,"C4H6O4 "]
[null,154,"Methyl-1-naphthylamine ",0,3.67,null,null,null,null,null,27,0,"C11H11N "]
[null,155,"4-Methylpentanoic acid ",-1,4.84,null,null,null,null,null,18,0,"C6H12O2 "]
[null,156,"1-Methylpiperidine ",0,10.08,null,null,null,null,null,25,0,"C6H13N "]
[null,157,"2-Methylphenol = o-cresol",-1,10.28,null,null,null,null,null,25,0,"C7H8O ","108.14"]
[null,158,"4-Methylphenol = p-cresol",-1,10.26,null,null,null,null,null,25,0,"C7H8O ","108.14"]
[null,159,"2-Methylpyridine ",0,5.97,null,null,null,null,null,20,0,"C6H7N "]
[null,160,"3-Methylpyridine ",0,5.68,null,null,null,null,null,20,0,"C6H7N "]
[null,161,"4-Methylpyridine ",0,6.02,null,null,null,null,null,20,0,"C6H7N "]
[null,162,"Morphine ",0,8.2100000000000009,null,null,null,null,null,25,0,"C17H19NO3 "]
[null,163,"Morpholine ",0,8.33,null,null,null,null,null,25,0,"C4H9NO "]
[null,164,"2-(N-morpholino)ethanesulfonic acid - MES",-1,6.2,null,null,null,null,null,25,0,"C6H13NO4S ",195.2]
[null,165,"1-Naphthol ",-1,9.34,null,null,null,null,null,25,0,"C10H8O "]
[null,166,"2-Naphthol ",-1,9.51,null,null,null,null,null,25,0,"C10H8O "]
[null,167,"Nicotine ",0,3.12,8.02,null,null,null,null,25,0,"C10H14N2 "]
[null,168,"Nitrilotriacetic acid",-3,1.1000000000000001,1.65,2.94,10.334,null,null,20,0,"C6H9NO6",191.11]
[null,169,"2-Nitroaniline ",0,-0.26,null,null,null,null,null,25,0,"C6H6N2O2 "]
[null,170,"3-Nitroaniline ",0,2.4660000000000002,null,null,null,null,null,25,0,"C6H6N2O2 "]
[null,171,"4-Nitroaniline ",0,1,null,null,null,null,null,25,0,"C6H6N2O2 "]
[null,172,"2-Nitrobenzoic acid",-1,2.1789999999999998,null,null,null,null,null,25,0,"C7H5NO4 "]
[null,173,"2-Nitrophenol",-1,7.21,null,null,null,null,null,25,0,"C6H5NO3 "]
[null,174,"3-Nitrophenol",-1,8.39,null,null,null,null,null,25,0,"C6H5NO3 "]
[null,175,"4-Nitrophenol ",-1,7.15,null,null,null,null,null,25,0,"C6H5NO3 "]
[null,176,"3-Nitrobenzoic acid",-1,3.4489999999999998,null,null,null,null,null,25,0,"C7H5NO4 "]
[null,177,"4-Nitrobenzoic acid ",-1,3.4420000000000002,null,null,null,null,null,25,0,"C7H5NO4 "]
[null,178,"Nitrous acid",-1,3.15,null,null,null,null,null,25,0,"HNO2"]
[null,179,"Noradrenaline ",-1,8.64,9.6999999999999993,null,null,null,null,25,0,"C8H11NO3 "]
[null,180,"Octadecylamine ",0,10.6,null,null,null,null,null,25,0,"C18H39N "]
[null,181,"Octanedioic acid ",-1,4.5199999999999996,null,null,null,null,null,25,0,"C8H14O4 "]
[null,182,"Octanoic acid ",-1,4.8899999999999997,null,null,null,null,null,25,0,"C8H16O2 "]
[null,183,"Oxalic acid",-2,1.252,4.266,null,null,null,null,25,0,"C2H2O4 "]
[null,184,"Oxaloacetic acid ",-2,2.2200000000000002,3.89,13.03,null,null,null,25,0,"C4H4O5 "]
[null,185,"Papaverine ",0,6.4,null,null,null,null,null,25,0,"C20H21NO4 "]
[null,186,"Paracetamol = acetaminophen",0,9.51,null,null,null,null,null,25,0,"C8H9NO2 ",151.16999999999999]
[null,187,"Pentanoic acid ",-1,4.84,null,null,null,null,null,25,0,"C5H10O2 "]
[null,188,"Perchloric acid",-1,-10,null,null,null,null,null,25,0,"HClO4"]
[null,189,"p-Periodic acid",-2,1.55,8.2799999999999994,null,null,null,null,null,null,"H5IO6 "]
[null,190,"1,10-Phenanthroline ",0,4.84,null,null,null,null,null,25,0,"C12H8N2 ",180.3]
[null,191,"m-Phenetidine ",0,4.18,null,null,null,null,null,25,0,"C8H11NO "]
[null,192,"o-Phenetidine ",0,4.43,null,null,null,null,null,28,0,"C8H11NO "]
[null,193,"Phenol",-1,9.98,null,null,null,null,null,25,0,"HC6H5O "]
[null,194,"Phenylacetic acid ",-1,4.28,null,null,null,null,null,18,0,"C8H8O2 "]
[null,195,"Phenylalanine ",-1,2.2000000000000002,9.31,null,null,null,null,25,0,"C9H11NO2 "]
[null,196,"Phenylethylamine ",0,9.84,null,null,null,null,null,25,0,"C8H11N "]
[null,197,"Phenylglycine ",-1,1.83,4.3899999999999997,null,null,null,null,25,0,"C8H9NO2 "]
[null,198,"Phosphoric acid",-3,2.1480000000000001,7.1989999999999998,12.35,null,null,null,25,0,"H3PO4"]
[null,199,"m-Phthalic acid ",-2,3.7,4.5999999999999996,null,null,null,null,25,0,"C8H6O4 ",166.14]
[null,200,"o-Phthalic acid",-2,2.76,4.96,null,null,null,null,25,0,"C8H6O4 ",166.14]
[null,201,"p-Phthalic acid ",-2,3.54,4.46,null,null,null,null,25,0,"C8H6O4 "]
[null,202,"Picolinic acid ",-2,1.07,5.25,null,null,null,null,25,0,"C6H5NO2 "]
[null,203,"Picric acid ",-1,0.38,null,null,null,null,null,null,null,"C6H3N3O7 "]
[null,204,"Pilocarpine ",0,6.87,null,null,null,null,null,30,0,"C11H16N2O2 ",208.25899999999999]
[null,205,"Piperazine ",0,5.56,9.83,null,null,null,null,23,0,"C4H10N2 "]
[null,206,"Piperidine",0,7.53,11.122999999999999,null,null,null,null,25,0,"C5H11N",85.15]
[null,207,"p-Phenetidine ",0,5.2,null,null,null,null,null,28,0,"C8H11NO "]
[null,208,"Proline",-1,1.952,10.64,null,null,null,null,25,0,"C5H9NO2",115.13]
[null,209,"Propanoic acid",-1,4.8739999999999997,null,null,null,null,null,25,0,"CH3CH2COOH"]
[null,210,"Propylamine",0,10.566000000000001,null,null,null,null,null,25,0,"CH3CH2CH2NH2"]
[null,211,"Purine ",0,2.2999999999999998,8.9600000000000009,null,null,null,null,20,0,"C5H4N4 ",120.11]
[null,212,"Pyridine",0,5.2290000000000001,null,null,null,null,null,25,0,"C5H5N",79.099999999999994]
[null,213,"3-Pyridinecarboxylic acid ",-1,4.8499999999999996,null,null,null,null,null,25,0,"C6H5NO2 "]
[null,214,"4-Pyridinecarboxylic acid ",-1,4.96,null,null,null,null,null,25,0,"C6H5NO2 "]
[null,215,"Pyrimidine ",0,1.1000000000000001,null,null,null,null,null,20,0,"C2H4N2 ",80.087999999999994]
[null,216,"Pyrocatechol ",-2,9.4,12.8,null,null,null,null,20,0,"C6H6O2 ",110.1]
[null,217,"Pyrophosphoric ",-4,1.52,2.36,6.6,9.25,null,null,null,null,"H4P2O7 ",177.98]
[null,218,"Pyrrolidine ",0,11.27,null,null,null,null,null,25,0,"C4H9N "]
[null,219,"Pyruvic acid ",-1,2.39,null,null,null,null,null,25,0,"C3H4O3 ",88.06]
[null,220,"Quinine ",0,4.13,8.52,null,null,null,null,25,0,"C20H24N2O2 ",324.42]
[null,221,"Quinoline ",0,4.9000000000000004,null,null,null,null,null,20,0,"C9H7N ",129.16]
[null,222,"Resorcinol",-2,9.3000000000000007,11.06,null,null,null,null,25,0,"C6H6O2 ",110.1]
[null,223,"Saccharin ",-1,11.68,null,null,null,null,null,18,0,"C7H5NO3S "]
[null,224,"Salicylic acid",-2,2.97,13.74,null,null,null,null,25,0,"C7H6O3 ",138.12]
[null,225,"Selenic acid",-1,1.92,null,null,null,null,null,25,0,"H2SeO4"]
[null,226,"Selenous acid",-2,2.64,8.2799999999999994,null,null,null,null,null,0,"H2SeO3 "]
[null,227,"Serine ",-1,2.19,9.0500000000000007,null,null,null,null,25,0,"C3H7NO3",105.09]
[null,228,"o-Silicic acid",-2,9.66,11.7,null,null,null,null,null,null,"H4SiO4"]
[null,229,"m-Silicic acid",-2,9.6999999999999993,12,null,null,null,null,null,null,"H2SiO3"]
[null,230,"Sorbic acid",-1,4.76,null,null,null,null,null,null,null,"C6H8O2",112.13]
[null,231,"Strychnine ",0,8.26,null,null,null,null,null,25,0,"C21H22N2O2 ",334.41]
[null,232,"Succinic acid",-2,4.2069999999999999,5.6360000000000001,null,null,null,null,null,null,"HOOCCH2CH2COOH",118.09]
[null,233,"Sulfamic acid",-1,0.995,null,null,null,null,null,null,null,"H3NSO3",97.09]
[null,234,"Sulfuric acid",-2,-3,1.99,null,null,null,null,25,0,"H2SO4 ",98.08]
[null,235,"Sulfurous acid",-2,1.91,7.18,null,null,null,null,25,0,"H2SO3",82.07]
[null,236,"d-Tartaric acid",-2,3.036,4.3659999999999997,null,null,null,null,25,0,"C4H6O6 ",150.09]
[null,237,"meso-Tartaric acid ",-2,3.22,4.82,null,null,null,null,25,0,"C4H6O6 ",150.09]
[null,238,"Terephthalic acid ",-1,3.51,null,null,null,null,null,25,0,"C8H6O4 "]
[null,239,"Thiazole ",0,2.44,null,null,null,null,null,20,0,"C3H3NS "]
[null,240,"Thioacetic acid ",-1,3.33,null,null,null,null,null,25,0,"C2H4OS "]
[null,241,"Thiosulfuric acid",-2,0.6,1.63,null,null,null,null,25,0,"H2S2O3"]
[null,242,"Threonine",-1,2.0880000000000001,9.1,null,null,null,null,25,0,"C4H9NO3",119.12]
[null,243,"m-Toluic acid ",-1,4.2699999999999996,null,null,null,null,null,25,0,"C8H8O2 "]
[null,244,"o-Toluic acid ",-1,3.91,null,null,null,null,null,25,0,"C8H8O2 "]
[null,245,"p-Toluic acid ",-1,4.3600000000000003,null,null,null,null,null,25,0,"C8H8O2 "]
[null,246,"Trichloroacetic acid",-1,0.87,null,null,null,null,null,25,0,"Cl3CCOOH"]
[null,247,"Triethanolamine",0,7.7619999999999996,null,null,null,null,null,25,0,"(HOCH2CH2)3NH"]
[null,248,"Triethylamine",0,10.715,null,null,null,null,null,25,0,"(CH3CH2)3NH"]
[null,249,"Trimethylacetic acid   ",-1,5.03,null,null,null,null,null,25,0,"C5H10O2 "]
[null,250,"Trimethylamine",0,9.8000000000000007,null,null,null,null,null,25,0,"(CH3)3NH"]
[null,251,"Tris(hydroxymethyl)- aminomethane (tris)",0,8.0749999999999993,null,null,null,null,null,25,0,"(HOCH2)3CNH3"]
[null,252,"Tryptophan",-1,2.35,9.5399999999999991,null,null,null,null,25,0,"C11H12N2O2 "]
[null,253,"Tyramine ",0,9.74,10.52,null,null,null,null,25,0,"C8H11NO "]
[null,254,"Tyrosine ",-1,2.17,9.19,10.47,null,null,null,25,0,"C9H11NO3 "]
[null,255,"Urea ",0,0.1,null,null,null,null,null,21,0,"CH4N2O "]
[null,256,"Uric acid ",-1,3.89,null,null,null,null,null,12,0,"C5H4N4O3 "]
[null,257,"Valine ",-1,2.286,9.718,null,null,null,null,25,0,"C5H11NO2 "]
[null,258,"I N D I C A T O R S",null,null,null,null,null,null,null,null,null,null,null,"pKa","pH < pKa","pH = pKa","pH>pka",null,null,null,"Other color numbers"]
[null,259,"Thymol Blue (pKa 1.7)",-2,1.7,8.9,null,null,null,null,null,null,"C27H30O5S",466.59,1.7,5263615,4107000,4907000,null,null,"green",1701178,8374896,52377,7722000,1702000]
[null,260,"Methyl Orange (pKa 3.5)",-2,-1,3.47,null,null,null,null,null,null,"C14H14N3NaO3S",327.33,3.47,5263615,4961023,4907000,null,null,"blue",16763955,16750899,15456000]
[null,261,"Bromocresol Green (pKa 4.8)",-2,-1,4.8,null,null,null,null,null,null,"C21H14Br4O5S",698.01,4.8,4907000,52377,16750899,null,null,"red",7039480,5263615,14666000]
[null,262,"Methyl Red (pKa 5.1)",-1,5.0999999999999996,null,null,null,null,null,null,null,"C15H15N3O2",269.3,5.0999999999999996,5263615,4961023,4907000,null,null,"yellow",4907000,10285055,3339000,60395]
[null,263,"Bromothymol Blue (pKa 7.1)",-1,7.1,null,null,null,null,null,null,null,"C27H28Br2O5S",624.38,7.1,4907000,6813000,16750899,null,null,"white",16777215]
[null,264,"Phenol Red (pKa 7.7)",-2,1.2,7.7,null,null,null,null,null,null,"C19H14O5S",354.38,7.7,4907000,4961023,5263615,null,null,"orange",4961023]
[null,265,"Thymol Blue (pKa 8.9)",-2,1.7,8.9,null,null,null,null,null,null,"C27H30O5S",466.59,8.9,4907000,52377,16750899]
[null,266,"Phenolphthalein",-2,9.5,9.6999999999999993,null,null,null,null,null,null,"C20H14O4",318.32,9.6999999999999993,15395562,16564985,16419572]
[null,267,"Alizarine yellow R (pKa 11)",-1,11,null,null,null,null,null,null,null,"C13H9N3O5 ",287.23,11,4907000,4961023,5263615]
[null,268]
[null,269]
[null,270]
[null,271]
[null,272]
[null,273]
[null,274]
[null,275]
[null,276]
[null,277]
[null,278]
[null,279]
[null,280]