Speciation 98: Abstracts

The IUPAC Stability Constants Database, SC-Database, is the extension and embodiment of the four original book volumes of stability constants published by the Chemical Society (London) and IUPAC. In 1989 the IUPAC Commission on Equilibrium Data undertook production of the fifth volume as a computer-held database and this was published by Academic Software in 1993. The addition of all constants from the four book volumes was completed in 1995 (Release 2) and is widely used by research groups and commercial enterprises in many countries.

Release 3, a Windows version with a much improved user interface, which includes all significant data from 1887 up to 1995/6, was published in December 1997 with over 80000 records. An international team of data collectors, many of whom are past or present members of the IUPAC Commission on Equilibrium Data, is responsible for collecting new stability constants as they are published in the major refereed journals, to keep SC-Database up to date.

SC-Database is much more than just a collection of stability constants, because the interrogation software is designed to give very fast and flexible searching, using spontaneously described criteria which can be based on any combination of ligand, metal ion, reference and/or experimental details. Speciation curves, based on constants from SC-Database, may be calculated and displayed, and constants may be corrected for changes in ionic strength.

Mini-SCDatabase is a database of selected and edited constants, generally in aqueous solution at 25°C, holding over 18000 records. It has been designed for very fast and easy access to stability constants, especially for teaching. It will be part of the tutorial package SolEq ('The Fundamentals and Applications of Equilibria in Solution' ) which is currently in preparation by the IUPAC Commission on Equilibrium Data.

The demonstration will show the full range and power of the interrogative software for both databases, and will lead on to show how constants from the databases can be used interactively. This will not be a pre-defined demonstration but will be controlled by delegates' requests and interests.

The Mini-database of selected and edited constants which are applicable under environmental and biological conditions is particularly important for users who are not knowledgeable on environmental chemistry. Selection criteria will be discussed and a general discussion on their limitations and uses will be initiated.

Informal demonstrations and hands-on sessions for individual delegates or small groups will also be arranged spontaneously during the conference, on request.

Further information on both databases, and a demonstration which may be downloaded, will be found on the Academic Software website at http://www.acadsoft.co.uk

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