CurTiPot

= pH calculation + virtual titration

+ acid-base titration curve data analysis

+ distribution diagram generation

+ pKa database, all in Excel

The all-in-one Excel-based freeware for
pH and acid-base equilibrium calculations,
and simulation, modeling and data treatment
of Potentiometric Titration Curves

Download CurTiPot for free now
or have a look at features, screenshots,
examples
and citations in Google Scholar

1. Click on the DOWNLOAD icon of your choice
and save the file in a folder of your computer;

2. In the folder, right-click on the file curtipot_.xlsm,
select "Properties" in the popup, check "unlock", OK;

3. Double-click on the file to open it with
Microsoft ExcelTM like any other spreadsheet;

4. Start learning, working or teaching,
at home, classroom and laboratory.

CurTiPot (CuTiPot, Curtiplot, CuTiPlot)
Copyright ©1992 - 2024
(also available
in Portuguese)

CurTiPot 4.4.0 *
January/2024
for ExcelTM
(~1 Mbyte)

Full program
+ first steps for
beginners **
Full program
Zipped
full program

* Requirements: Microsoft ExcelTM any version from
2007 onwards running on Microsoft Office for Windows
or Microsoft Office for MAC.

** Overlaid step-by-step instructions in balloons (bubble text)
to guide beginners through each module of the full program.

Vintage .xls versions for ExcelTM 8 to 11 (1997 to 2003)
can be obtained from the author.

CurTiPot is widely disseminated in universities, companies, etc.
(>200,000 copies; >100 countries); frequently used and cited
in >300 papers and thesis indexed in Google Scholar.

In a survey of 21 free buffer calculators and Apps,
the use of CurTiPot was encouraged over all other
for rigorous pH calculation with confidence
Lucy, C. L., J. Chem. Educ. 2023, 100, 2418?2422
https://doi.org/10.1021/acs.jchemed.2c01203

You may cite CurTiPot as follows:
Gutz, I. G. R., CurTiPot – pH and Acid–Base Titration Curves:
Analysis and Simulation freeware, version 4.4.0
https://www.iq.usp.br/gutz/Curtipot_.html

What's inside CurTiPot?

pH calculator A pH calculator

» "one click" fast pH calculation of any aqueous solution of acids, bases and salts, including buffers, zwitterionic amino acids, from single component to complex mixtures (30 or more species in equilibrium);

» pH , p[H] and "pH" values iteratively computed with an accurate general equation (instead of the aproximate Henderson-Hasselbalch equation) combined with activity coefficients estimation by the Davies equation;

» provides buffer capacity (buffer index, buffer strength), ionic strength, fractional distribution, medium charge of HiB – to find the Isoelectric Point of amino acids –, activities and apparent dissociation constants of all species at equilibrium;

» all relevant data and results can be saved for further use.

» batch processing is available to automate pH calculation of long lists of solutions of variable composition.

Try the pH calculator now

acid base titration Two Titration Data Analyzers

Treat your pH vs. volume input data  – real or simulated  – in the usual fashion with the Evaluation option or by an advanced Regression method;

» the Evaluation program finds the inflection point(s) (also known as end points or equivalence points) on a titration curve automatically with enhanced accuracy thanks to cubic splines smoothing and interpolation;

» the Regression spreadsheet assists the modeling of titrarion curves for the determination of concentrations of acids, salts and bases in the sample and the refinement of pKa values by least squares nonlinear regression  – essential for titrations of very diluted and/or complex samples that generate curves with ill-ndefined inflections, eg., acid rain. This advanced feature takes into account the effects of ionic strength and activity coefficients.

» results of the data treatment of relevant titrations can be saved for further use.

Analyze your titration curves now

Virtual titrator Two Virtual Titrators

» Titration module for beginners with clickable digital burette, color transition of the chosen indicator for visual endpoint detection and generation of samples with random unknown concentration;

» simulation of pH vs. volume titration curves of any aqueous solution of acids, bases and mixtures;

» simulation of "near real" data tables and plots with random errors (Gaussian distribution) in pH and/or volume, to test data analysis procedures;

» user selectable increments of pH, volume, pH or "pH" plot and titration speed;

» overlay of up to 13 curves for visual comparison of the effect of changes in parameters;

» overlay of real and simulated curves for manual fitting by playing  with the parameters;

» unlimited generation of different titration curves for drilling exercises and students' examinations.

Simulate titration curves now

Claculator of acids and bases distribution A Distribution Diagram Generator

» composition diagrams (alpha plots, distribution curves or molar fraction curves) and buffer capacity curves of any mono or multiprotic acid or base showing the fractional contribution of each protonated and unprotonated species in equilibrium;

» distribution curves plotted against volume of titrant, with overlaid titration curve, revealing the principal species at the inflections (endpoints) and the contribution of each species at any stage of the titration;

» protonation curves an average charge curves of acids or bases showing the average number of protons bound to the Brönsted-Lowry (or Lewis) base – and their weighted charges – as a function of pH as well as volume of titrant (with overlaid titration curve); a zero-crossing of the charge reveals an Isoelectric Point.

Calculate distribution of acids and bases now

Dissociation constants of acids and bases A pKa Database

» equilibrium constants of some 250 acids and bases have been compiled into a database expandable by the user.

» quick load of pKa sets of seven acid-base systems into the pH_calc, Titration, Simulation, and Regression modules, for single or simultaneous use.

Check dissociation constants database now


Configuration and Usage

CurTiPot is released as freeware for personal, educational and non-commercial use; for other applications, contact the author (copyright holder). Download the most recent release of CurTiPot, free of virus, spyware and addware, from this page <www.iq.usp.br/gutz/Curtipot_.html>.

There is no need to install (or uninstall) CurTiPot. Simply run the Microsoft ExcelTM software and open the curtipot_.xlsm file like any other spreadsheet workbook. All preprogrammed equations and Visual Basic embedded macros are self-contained and completely removed when closing CurTiPot (no functions added, no changes made to Excel).

It is necessary to enable macros in Excel to activate the buttons that run the macros for iterative computing of pH, distribution curves generation, smoothing, etc. Follow the instruction given in the Download section or, for older MS Windows versions, read instructions on the front page of CurTiPot, cell AM12 or refer to Microsoft.

All worksheets have embedded instructions and comments, editable/expandable by the user. In addition, the CurTiPot option i version contains balloons (bubble text) with a numbered sequence of first steps to be followed by beginners, like a recipe. Balloons can be deleted as they become superfluous.

The Regression module of CurTiPot uses an Excel supplement named Solver for the determination of concentrations and pKas of acids and bases from titration data by nonlinear least squares regression. If not yet visible in the Excel Data tab, Solver needs to be activated by checking the box in the Excel Supplements list.

Download CurTiPot now


Remarks and Assumptions

CurTiPot adheres to the Brönsted and Lowry concept of acids and bases. Solely instantaneous protonation-deprotonation equilibria and effects of ionic strength are computed. No other type of chemical reaction or phase transition is taken in account in the calculations, although they may occur for many combinations of acids and bases (listed or not in the Database).

The pH, usually measured by potentiometry with a cell comprising a glass electrode and a (combined) reference electrode, is strictly defined as -log a[H+] (see definition of pH), where a[H+] is the activity of hydrogen ions, more precisely hydrated protons, H3O+ or hydronium (the simplest type of oxonium ion). At increasing ionic strength, I, ion-ion interactions reduce the activity coefficients (gamma) of all ions including the hydrated protons, H+. The pH_calc, Distribution, Simulation and Regression modules estimate activity coefficients with help of the Davies equation.

The Davies equation gives reasonable estimates up to I ~0.1 mol/L or so (better than the Debye Hückel equation). There are more complete equations applicable at higher I (e.g., Pitzer equation) that take in account individual hydrated ion-size parameters and ion-ion association constants, but these are available only for a limited number of acids and bases in certain electrolytes.

Besides pH, the pH Calculator also displays the p[H] and the "p[H]". Both correspond to -log [H+] with the difference that "p[H]" is computed with thermodynamic constants but ignoring the I effect (like simplistically done in high school), while the constants used in the p[H] calculation (and pH as well) are previously corrected for the I effect (ion-ion interaction) by the Davies equation.

The author provides the freeware on an "as is" basis, with no warranties, expressed or implied, and reserves the right not to be responsible for the correctness, completeness, accuracy and error-free operation of CurTiPot. The author has not introduced any spyware, adware, viruses or malicious code in the program, as checked and assured by many of the distributors of the software (see list).

Bug reports and suggestions welcomed by e-mail gutz@iq.usp.br.

Evaluate CurTiPot freeware


Examples and Comments

The all-in-one modular and interactive design of CurTiPot is user-friendly and lets you rapidly calculate the pH of any aqueous solution, from the simplest to the most complex one. The Virtual Titrator makes the simulation of the titration curve of any acid, base or mixture a breeze; flexibility in the selection of sample size, concentration of ingredients, titration range, type, size and speed of titrant addition and dispersion of the "measurements" give great realism to the process. Quick loading of dissociation constants and one-click data transfer from the Virtual Titrator to both of the data analysis modules - Evaluation and Regression - make it easy to compare a "graphical" or empirical method with the numerical one in a matter of seconds! This is great for learning and teaching as well as for the optimization of new titrations.

Introduce your experimental data pairs of volume of titrant and pH readings from de pH meter (potentiometer with a combined glass electrode or another pH sensor) directly into the spreadsheet of the Evaluation module. Visualize the curve as you enter data point by point during the titration in the laboratory, or afterwards. Select the smoothing factor of the spline that shows the most accurate interpolation of the endpoints (stoichiometric points or equivalence points) on the derivative curves. You will be pleasantly surprised with the effectiveness of spline smoothing for volumetric titration curves with clearly defined inflections and with the power of the Regression module to deal with more difficult data analysis.

Try the Regression module to obtain the best possible estimation of the concentrations (and pKas) of species involved in protonation chemical equilibria. The chemometric approach of multiparametric least-squares nonlinear regression is effective when all relevant pKas fall within (or near outside) the pH range covered by your titration data.

A background in chemometrics, statistics or numerical data analysis is valuable but not essential to profitably explore the power and recognize the limits of the Regression module, in special, for data untreatable by graphical and linearization methods (Gran plot). For example, with Regression, minute concentrations of some acidic and basic components in acid rain samples titrated with strong base can be determined individually or grouped as follows: strong acids (H2SO4 + HNO3), weak carboxylic acid (formic + acetic), bicarbonate (H2CO3/HCO3-/CO3=) and ammonium ion (NH4+/NH3) (FORNARO, A.; GUTZ, I.G.R., Wet deposition and related atmospheric chemistry in the São Paulo metropolis, Brazil. Part 3: Trends in precipitation chemistry during 1983–2003, Atmospheric Environment, 2006, 40(30), 5893-5901).

In principle, CurTiPot can simulate any titration curve in aqueous medium regardless of the number of mixed acid-base systems in equilibrium (within limitations given above). The program is frequently downloaded by users looking for the simulation and evaluation of titration curves of diprotic and triprotic amino acids. We have used CurTiPot, e.g., to simulate and feed pH vs. titrant volume values to a new method of analysis of conductometric titration data (COELHO, L.H.G. and GUTZ, I.G.R., Trace analysis of acids and bases by conductometric titration with multiparametric non-linear regression, Talanta, 2006, 69(1), 204-209).

The program is helpful also for other tasks like determining the amount of acid or base required to neutralize a sample (neutralization), to prepare or displace the pH of a buffer, to change color of a visual indicator, to find the isoelectric point of amino acids, etc. Users in one hundred and thirty countries have found the freeware valuable in their own research as well as to prepare lectures, tutorials, exercises, examination questions, lab guides and experiments, classroom simulations, presentations, papers, etc.

Explore the multiple functions of CurTiPot now

Database of pKas of acids and bases

The user-expandable Database reproduces pKas of some 250 monoprotic, diprotic and polyprotic acids and bases selected in larger equilibrium constants databases (references given), including the essential amino acids and ending with some visual indicators.

Solve your acid-base problems with CurTiPot


Ivano Gutz - electroanalytical and environmental chemistry and instrumentation

This freeware is a courtesy of:

Ivano Gebhardt Rolf Gutz
 – Full Professor –
Instituto de Química
Universidade de São Paulo
Av. Prof. Lineu Prestes, 748
05508-000 São Paulo, SP, Brasil
satelite image
e-mail: gutz@iq.usp.br
Summary | Publications | CV | Group

Curtipot since 1992

CurTiPot (CuTiPot, CurTiPlot, CuTiPlot)
Copyright ©1992 - 2024

Features | Download | Screenshots | Installation | Google Scholar Citations | Examples | Database | Remarks | Statistics | Testimonials | Links to Curtipot

Sample Screenshots
(click on images to enlarge)

CurTiPot - Acid-Base pH and Virtual Titration freeware

Front page


pH of bases and acids with CurTiPot - Acid-Base pH and Virtual Titration freeware

pH Calculator

example: L-Alanine hydrochloride
solution (C3H7NO2 · HCl)


Titration of acetic acid with visual and intrumental endpoint detection

Titration module for students.
Example: point-by-point titration
of acetic acid with visual (phenol red)
and instrumental endpoint detection.


Titration of acetic acid with visual and intrumental endpoint detection

Titration module with step-by-step instructions in balloons, available in all modules of CurTiPot option i (= Curtipot_i.xlsm).


Simulation of titration curves of hydrochloric acid, phosphoric acid and glutamic acid

Simulation
with Virtual Titrator
examples: HCl, H3PO4 and glutamic acid.


Findign titration curve inflection (equivalence point, end point)  by derivative curves

Evaluation
with interpolation,
smoothing and auto-inflection finder

example: derivative curves of titration
of a mixture of H3PO4/H2PO4-.


Regression fitted titration curve of a simulated mixture of citric and ascorbic acid

Regression
fit to a "difficult"
titration curve
example:
mixture of citric acid + glycine.


Speciation (fractional distribution) during a titration

Distribution
of species (alpha plots)
overlaid on a titration

example: phosphoric acid.


Dissociation constants (equilibrium constants, pKas) database

Database
>250 dissociation constants (pKas)
of acids and bases, user-expandable.


 

Citations & Testimonials


In a survey of 21 free buffer calculators and Apps, the use of CurTiPot was encouraged over all other for rigorous pH calculation with confidence.

Lucy, C. L.
J. Chem. Educ. 2023, 100, 2418?2422.
https://doi.org/10.1021/acs.jchemed.2c01203


Curtipot - A spectacular acid-base titration spreadsheet

CHE 133 Syllabus
Robert F. Schneider
Assoc. Professor Emeritus

State University of New York


Dear Dr. Gutz,

I found your CurTiPot program from the Buffer solution page on Wikipedia. I very much like it. I plan to use it in classroom demonstrations here at Rice University.
Great job on the program!

Thanks,

Michael W. Deem
John W. Cox Professor of Biochemical and Genetic Engineering and Professor of Physics & Astronomy


Dear Ivano,

I have used your CurTiPot program, and find it very useful and powerful.

Best regards,

Gary Christian
Professor Emeritus
Department of Chemistry
University of Washington


...CurTiPot, a Microsoft Excel (Redmond, WA, USA) spreadsheet, presents particularly detailed information on ionization states and activity coefficients. It also simulates virtual acid–base titrations, and performs multiparametric nonlinear regression to recover concentrations and/or pKa's of multiple species from experimental titration data. ... Of these packages, we recommend CurTiPot for most acid–base problems, PeakMaster for simple electrophoresis problems where ion mobility and buffer conductivity are relevant; and Simul or Spresso for acid–base equilibria in full-scale electrophoresis simulations.

Basic principles of electrolyte chemistry for microfluidic electrokinetics. Part I: Acid–base equilibria and pH buffers

Alexandre Persat , Robert D. Chambers and Juan G. Santiago

Lab Chip, 2009, 9, 2437-2453


...The user interface of CurTiPot is easily accessible by a general chemistry student with almost no instruction....(i) The database contains pKa values for about 250 common aqueous acids, including citric acid and phosphoric acid, and the user can easily introduce an acid that is not in the database. (ii) The equilibrium concentrations of all species in solution are part of the output... (iii) The computational algorithm is robust. ...

Chemical Speciation and Calculation of
Sports Drink pH

Roger L. DeKock and Brandon J. Burkhart

Journal of Chemical Education, 2010, 87, 677


 

Statistics

CurTiPot (CuTiPot, CurTiPlot, CuTiPlot)

>200 results in Google Scholar
Applications and citations in
scientific papers and thesis

Visitors are tracked by Google Analytics
and counted by Statcounter

web analytics

>200 thousand downloads of
CurTiPot from this site to
>100 countries

Examples of statistics by Country and City
(Excel spreadsheet, data from
Clustermaps - 2013)


Videos on CurTiPot (YouTube)

  • Short vídeo (50 s) with instructions about:

     Titration endpoint determination with CurTiPot

  • CurTiPot tutorial (5 videos in Finnish) for high school students, covering download, pH calculation, titrations, simulations and problem solving:
  •  CurTiPot - Playlist in 5 parts

  • Potentiometric and conductimetric acid-base titrations - laboratory experiment and data analysis with CurTiPot  (6 videos in Portuguese for undergraduates, recorded during the Covid 19 lockdown at Insituto de Química, Universidade de São Paulo, where CurTiPot has been used for decades):
  •   1 - Calibration of electrodes -
           Calibração dos eletrodos (13:06)

      2 - pH and conductivity measurements -
           Medições de pH e condutividade (5:01)

      3 - Ascorbic acid titration -
           Titulação de Vitamina C (7:36)

      4 - Paracethamol titration -
           Titulação de Paracetamol (6:36)

      5 - Potentiometric titration data treatment with CurTiPot - Tratamento de dados de titulação potenciométrica com CurTiPot (20:00)

      6 – Conductimetric titration data treatment with CurTiPot-Cond - Tratamento de dados de titulação condutométrica com CurTiPot-Cond* (5:06)

    * A copy of the beta version of CurTiPot-Cond can be requested from the author by the e-mail gutz@iq.usp.br



    Ivano G. R. Gutz | Dept. of Fundamental Chemistry | IQ-USP | Universidade de São Paulo