Establishment of data base files of thermodynamic data developed by OECD/NEA, 3; Thermodynamic data of Ni, Se, Zr and organic ligands

Yoshida, Yasushi*; Kitamura, Akira  

Thermodynamic data base for compounds and complexes of actinides and fission products with auxiliary species specialized in modeling requirements for safety assessments of radioactive waste disposal systems are being developed by the TDB project of OECD/NEA. In the project, thermochemical data bases for compounds and complexes of Ni, Se, Zr and organic ligands have been published in 2005. The data base files of these data available for geochemical calculation codes have been established in the present study. The procedure for establishment and contents of data base files are described in this report. These data base files are prepared as the formats of major geochemical codes of PHREEQE, PHREEQC, EQ3/6 and Geochemist's Workbench. The thermodynamic data base for the evaluation of alteration behavior of engineered barrier in the TRU 2nd progress report has been already published by JNC. The abstract of this data base file is also shown in the appendix of this report.