Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 1967 Jul;14(7):833-42.
doi: 10.1016/0039-9140(67)80105-x.

Computer calculation of equilibrium concentrations in mixtures of metal ions and complexing species

D D Perrin  1 , I G Sayce
Affiliations

Computer calculation of equilibrium concentrations in mixtures of metal ions and complexing species

D D Perrin et al. Talanta. 1967 Jul.

Abstract

A method is described for calculating equilibrium concentrations of all species in multi-metal-multi-ligand mixtures from the pH of the solution, the total concentration of each metal and each complexing agent, and the relevant equilibrium constants (pK(a) values and stability constants). No restriction is imposed on types of possible complexes, which can include mixed, hydrolysed, protonated and polynuclear species. Two examples are given. One of these comprises a 10-metal-10-ligand system (195 equilibrium constants). In the second system, mixed complex formation is important. The computer program is given.

PubMed Disclaimer