Equilibrium data


A crucial part of any equilibrium modelling calculation is the selection of equilibrium constants that quantify the strength of interactions between metals and ligands. Locating suitable equilibrium constants that lead to reliable model results can be difficult. Numerous large compilations of equilibrium constant values have been published each having their own limitations, coverage and availability. The persistence of existing compilations is problematic given that it is widely underappreciated how much ongoing work and effort are required just to maintain and distribute functional versions of computer databases. As a result, the access to some existing compilations of equilibrium has become impossible and, in general, navigating in the field is not easy, particularly for ‘new people’.

I created a site: https://equilibriumdata.github.io/ that is intended to offer an overview of the situation as well as data rescued from discontinued databases or new compilations.

I participate in the EU COST action 18202 "Network for Equilibria and Chemical Thermodynamics Advanced Research"