Related topics

Sites of interest

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database SC-Database. A comprehensive database of equilibrium constants developed by Leslie Pettit and Gwyneth Pettit.
Screen examples (Academic Software web site)
soleq Soleq. Leslie Pettit and Kip Powell have produced an interactive tutorial package which deals with all aspects of SOLution EQuilibria. Many sample tutorials can be downloaded free of charge from this site.(view contents)
academic software

Academic Software Free downloads including .Equilibria in Aqueous Solutions, a collection of utility programs for matters relating to ionic strength effects, salinity effects, temperature effects, activity coefficients, O2 solubility and much more (view contents page)

Aq. solutions

Aqua solutions software


JESS A powerful research tool for modelling chemical speciation in complex aqueous environments. It is designed to solve problems requiring expert knowledge of solution chemistry. It currently comprises over 250 programs, 2000 subroutines and 234,000 lines of Fortran code

chemeql ChemEQL Calculates and draws thermodynamic equilibrium concentrations of species in complex chemical systems. It handles homogeneous solutions, dissolution, precipitation, titrations with acids, bases, or other components. Adsorption on up to five different particulate surfaces can be modeled with the choice of the Constant Capacitance, Diffuse Layer (Generalized Two Layer), Basic Stern Layer, or Triple Layer model to consider surface charges. Corrections for ionic strength can be made and activities calculated. Kinetic reactions can be simulated with one rate determining process in a system of otherwise fast thermodynamic chemical equilibrium. Libraries with over 1750 thermodynamic stability constants and more than 300 solubility products. ChemEQLruns on MacOSX, Windows, Linux, and Solaris.
WINSGW A speciation program derived from HALTAFALL, previously known as SOLGASWATER. Now available as a Windows application,.
  • calculate equilibrium compositions for complexation reactions (up to 15 components and 300 species)
  • calculate with up to 31 solid phases
  • calculate with Ionic Strength models according to: Debye-Hückel, Extended Debye-Hückel, Davies, Güntelberg, Pitzer
  • calculate equilibrium compositions at different temperatures
  • recalculate equilibrium constants from one temperature to another using DH for the reaction
  • handle up to five different solid phases with surface complexation. The electrostatic contributions can be accounted for with the following models: Constant Capacitance Model, Extented Constant Capacitance Model, Diffuse Layer Model, Stern Model,Triple Layer Model, Three Plane Model
  • calculate with Donnan equilibrium in fibre suspensions

Gas-phase equilibria

Software tools for the quantitative analysis of kinetic processes from Jplus Consulting Ltd.

Fitting of multi-wavelength spectroscopic data to kinetic reaction mechanisms in order to determine rate and equilibrium constants as well as the spectra and concentration profiles of all participating chemical species.

Other databases

NIST Standard Reference Database 46

IUPAC-NIST solubility database

Solubility products of simple inorganic compounds

Organic acids and bases

NIST Chemistry Web book


Potentiometric titrations

  Sirius State of the art instrumentation for pKa and log p determination. Spectrophotometric pKa determination. Analytical services, including pKa measurement.
  Metrohm Titrino and Titrando ranges for potentiometric titration
  Radiometer TitraLab systems for potentiometric titration
  Titroline alpha plus
  Excellence line titrators "One Click Titration™ "

For a very low-cost option consider using a Brand or Digitrate digital burette (piston burette operated manually)

Spectrophotometric titrations

Titration data can be obtained with Agilent/Cary spectrophotometers.

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