Modelling in Aquatic Chemistry

(B. Allard, S. A. Banwart, J. Bruno, J. H. Ephraim, R. Grauer, I. Grenthe, J. Hadermann, W. Hummel, A. Jakob, T. Karapiperis, A. V. Plyasunov, I. Puigdomenech, J. A. Rard, S. Saxena, K. Spahiu), OECD Publications 1997, 724 p. ISBN 92-64-15569-4

Thermodynamic data are important for the modelling of the chemical processes in the engineering part on nuclear waste repository systems (the "near-field" region), and also to describe the effect of the "far-field", i.e. how the chemical change in ground and surface water systems may affect the transport of toxic elements from the repository to the biosphere.

This publication contains guidelines on how to use the NEA-recommended TDB values, and on procedures to estimate values for cases where none can be recommended based on published experimental work.

This volume is of interest to any person involved in modelling of aqueous systems, including scientists working in non-nuclear activities. Each subject is introduced in an elementary way, including simple examples, and prior expert knowledge in the various subjects is not required.

The text contains the scientific background, and references, to the various subject areas, and is therefore a reference source also for the experts working with modelling of aquatic systems. Emphasis is given to the advantages and limitations of the various models described in the frame of a simplified systems discussion. Some of the chapters are intended as guidelines for the chemical equilibrium modelling of aquatic systems (for example, ionic strength and temperature corrections). Other chapters are intended to introduce the reader to non-equilibrium modelling: mass transfer between phases and transport of solutes in aquatic systems.

Each chapter has been written independently by the author(s), while the coordination of the different subjects has been the task of the editors. A peer-review procedure has been followed to ensure the quality of the text.