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  • Geochemical databases - Part I : PMATCH: A program to manage thermochemical data - Part II : The experimental validation of geochemical computer models


The first part of the report describes the development and use of a computer program, by means of which new thermodynamic data from literature may be referenced to a common frame, thereby becoming internally consistent with an existing database. The report presents the relevant thermodynamic expressions and their use in the program is discussed. When there is insufficient thermodynamic data available to describe a species behaviour under all conceivable conditions, the problems arising are thoroughly discussed and the available data are handled by approximating expressions. In the second part, the results of investigations of the equilibria established in aqueous suspensions of mixtures of carbonate minerals are compared with theoretical calculations made using the geochemical JENSEN program. The study revealed that the geochemical computer program worked well, and that its database was of sufficient validity. However, experimental difficulties could not be avoided, because of the gaseous component in the equilibrium.

Additional information

Authors: PEARSON JR F J, Intera Technologies Ltd., Ottawa (CA);AVIS J D, Intera Technologies Ltd., Ottawa (CA);NILSSON K, Riso National Laboratory, Roskilde (DK);SKYTTE JENSEN B, Riso National Laboratory, Roskilde (DK)
Bibliographic Reference: EUR 14170 EN (1993) 135 pp., FS, ECU 15
Availability: (2)
ISBN: ISBN 92-826-5329-3
Record Number: 199310303 / Last updated on: 1994-11-29
Original language: en
Available languages: en