Recent developments in ThermoChimie – A thermodynamic database used in radioactive waste management

IF 3.1 3区地球科学 Q1 GEOCHEMISTRY & GEOPHYSICS

Applied Geochemistry Pub Date : 2025-02-01 DOI:10.1016/j.apgeochem.2024.106273

B. Madé , W. Bower , S. Brassinnes , E. Colàs , L. Duro , P. Blanc , A. Lassin , L. Harvey , J.D. Begg

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引用次数: 0

Abstract

ThermoChimie is a thermodynamic database project intended for use across the radioactive waste management community to support repository performance assessment, research and development activities, and potentially inform decisions about waste conditioning, reprocessing, and disposability. Established in 1995 by Andra (France), and now managed by a consortium that also includes NWS (UK) and ONDRAF/NIRAS (Belgium), it is currently moving towards the end of Phase 3 (December 2025) of the project with the recent release of ThermoChimie version 12a and a further version update anticipated in the next 18 months. This paper provides an overview of the ThermoChimie database with emphasis on the activities undertaken during Phase 3, including major updates of the Pd, Fe, Se, Ni, U, Np, Pu, Am, Cm, and Tc systems, inclusion of data for Cu, Be, and Hg, the further development of the XCheck© tool that facilitates database management, increased database compatibility with a range of geochemical codes (PHREEQC, TOUGHREACT, CrunchFlow, CHESS, GWB, Spana, PFLOTRAN), and expert consultation on the subjects of cement and zeolite phases and redox reactions to inform future development of the database. This considerable body of work ensures that the ThermoChimie database continues to provide accurate, consistent and complete (as far as practicable) thermodynamic data to the radioactive waste community and beyond.

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来源期刊

Applied Geochemistry 地学-地球化学与地球物理

CiteScore

6.10

自引率

8.80%

发文量

272

审稿时长

65 days

期刊介绍： Applied Geochemistry is an international journal devoted to publication of original research papers, rapid research communications and selected review papers in geochemistry and urban geochemistry which have some practical application to an aspect of human endeavour, such as the preservation of the environment, health, waste disposal and the search for resources. Papers on applications of inorganic, organic and isotope geochemistry and geochemical processes are therefore welcome provided they meet the main criterion. Spatial and temporal monitoring case studies are only of interest to our international readership if they present new ideas of broad application. Topics covered include: (1) Environmental geochemistry (including natural and anthropogenic aspects, and protection and remediation strategies); (2) Hydrogeochemistry (surface and groundwater); (3) Medical (urban) geochemistry; (4) The search for energy resources (in particular unconventional oil and gas or emerging metal resources); (5) Energy exploitation (in particular geothermal energy and CCS); (6) Upgrading of energy and mineral resources where there is a direct geochemical application; and (7) Waste disposal, including nuclear waste disposal.