COMMISSION ON SOIL AND WATER CHEMISTRY (VI.3)
Number: 630/25/95
Title: Modelling Lifetime and Degradability of Organic Compounds in
Soil and Water Systems
Coordinator(s): A.
Sabljic and W.J.G.M.
Peijnenburg.
Remarks: Joint project with Commission (VI.1, VI.2 and VI.4)
Completion Date: 2001 - project completed
Objectives:
The persistence of commercial chemicals in their fate in the environment is
one of the most important factors in evaluating their fate in the environment
as well as their possible adverse effects Reliable risk assessment methods
that accurately predict reactivity in aqueous and soil systems for large sets
of chemicals are therefore essential. The main objective of this project is
to critically analyze all available models and approaches for estimating reactivity
of chemicals. All models will be evaluated in terms of their accuracy and
limitations
Progress:
A critical analysis of available models and methods for estimating reactivity
of chemicals was conducted with an emphasis on accuracy, limitations
and suitability of recently developed quantum chemical calculation techniques.
Also quantum chemical calculation techniques were applied for estimating
the degradability of organic compounds and recommendations for use of
these techniques was made. The project was presented during the conference
on Degradation Processes in the Environment, May 1998, Croatia and published
in the Proceedings of the Conference [Invited lectures published in
Pure Appl.
Chem.
70(7), 1319-1394 (1998)]. A presentation of this project was also
delivered at the Pellston Conference on environmental persistence, organized
by the Society for Environmental Toxicology and Chemistry (SETAC), July
1998, Fairmont Hot Springs, Canada. A report on the main findings and
conclusions of the conference has been prepared and submitted in June
2001 for publication. IUPAC Technical Report entitled 'Modeling lifetime
and degradability of organic compounds in air, soil, and water systems',
Pure Appl.
Chem.,
73(8), pp. 1331-1348 (2001).
Project completed
Last Update: 20 November 2001
