Thermoddem: A geochemical database focused on low temperature water/rock interactions and waste materials

被引:381
作者
Blanc, Ph [1 ]
Lassin, A. [1 ]
Piantone, P. [1 ]
Azaroual, M. [1 ]
Jacquemet, N. [2 ]
Fabbri, A. [3 ]
Gaucher, E. C. [4 ]
机构
[1] Bur Rech Geol & Minieres, F-45060 Orleans 2, France
[2] GET, F-31400 Toulouse, France
[3] ENTPE, F-69518 Vaulx En Velin, France
[4] CSTJF, EP EXPLO TE ISS RGM, F-64018 Pau, France
关键词
THERMODYNAMIC PROPERTIES; BOTTOM ASH; REACTIVE TRANSPORT; HIGH-PRESSURES; AQUEOUS IONS; IRON-OXIDES; SOLUBILITY; HYDROLYSIS; HYDROXIDE; MAGNETITE;
D O I
10.1016/j.apgeochem.2012.06.002
中图分类号
P3 [地球物理学]; P59 [地球化学];
学科分类号
0708 ; 070902 ;
摘要
The development of Thermoddem, a thermodynamic database devoted to geochemical modelling for environmental studies in general and, more specifically, to chemical systems involving waste materials, is discussed here. Concerns are also focused on taking into account some specific needs for modellers by proposing different output formats and some important information concerning the solid phases, the transformation path, paragenesis and insights into crystallographic details. This additional information aims to avoid considering phases that may not be "active" under current environmental conditions. The database is especially devoted to environmental applications, ranging from waste material management to pollutant behaviour, including the context of deep underground disposal. Selection rules and conventions are illustrated through the example of the Fe-water system, while a second example details the relationships between low and high ionic strength media, from the point of view of thermodynamic databases. Technical aspects concerning the development of a management information system for Thermoddem and its availability on the web (http://thermoddem.brgm.fr) are also provided. (C) 2012 Elsevier Ltd. All rights reserved.
引用
收藏
页码:2107 / 2116
页数:10
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