Nagra/PSI chemical thermodynamic data base 01/01
Nagra/PSI chemical thermodynamic data base 01/01
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DOI：
10.1524/ract.2002.90.9-11_2002.805
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发表时间：
2002-01-01
影响因子：
1.8
通讯作者：
Thoenen, T
中科院分区：
文献类型：
--
作者：
Hummel, W;Berner, U;Thoenen, T
Nagra/PSI化学热力学数据库已得到更新，以支持对计划中的瑞士放射性废物储存库进行绩效评估。从05/92版本到01/01版本的更新涉及大多数锕系元素和裂变产物的主要修订。总共有超过70%的数据库内容进行了修订。更新考虑了NEA TDB项目推荐的U、Np、Pu、Am和Tc数据。对Th， Sn, Eu, Pd， Al的热力学数据以及硫化物和硅酸盐的溶解度和金属络合进行了广泛的综述。Zr、Ni和Se的数据检查不太严格，因为这些元素目前正在NEA TDB项目的第二阶段进行审查。从这两年的团队努力中，我们的经验可以总结如下。详细的内部审查和对NEA建议的批判性评估大大提高了所选数据的化学一致性和质量。另一方面，我们可以发现数据中的主要空白，特别是缺失的碳酸盐配合物。在某些体系中，例如Th(IV)-H2O和U(IV)-H2O，实验数据不能用一组唯一的热力学常数来描述。在那里，基于溶解度数据的实用方法被选择应用于性能评估。我们的数据库的电子版和有关其完整文件的信息可在我们的PSI网站（http://www.psi.ch/les）上获得。
The Nagra/PSI Chemical Thermodynamic Data Base has been updated to support performance assessments of the planned Swiss repositories for radioactive waste. The update from version 05/92 to 01/01 involved major revisions for most of the actinides and fission products. Altogether, more than 70% of the database contents have been revised. Data for U, Np, Pu, Am and Tc recommended by the NEA TDB project were considered in the update. Thermodynamic data for Th, Sn, Eu, Pd, Al, and solubility and metal complexation of sulphides and silicates were extensively reviewed. Data for Zr, Ni and Se were examined less rigorously as these elements are currently being reviewed in phase II of the NEA TDB project. Our experiences from this two year team effort can be summarised as follows. Detailed in-house reviews and critical appraisal of NEA recommendations greatly improved the chemical consistency and quality of the selected data. On the other hand, we could discern major gaps in the data, especially missing carbonate complexes. In some systems, e.g. Th(IV)-H2O and U(IV)-H2O, experimental data could not be described by a unique set of thermodynamic constants. There, a pragmatic approach based on solubility data was chosen for application to performance assessment. The electronic version of our database and information concerning its full documentation is available on our PSI web site (http://www.psi.ch/les).