THEREDA

THEREDA（热力学参考数据库）是一个专门为放射性废物储存库地球化学模型设计的热力学参考数据库。该数据库主要关注放射性核素、裂变产物和基质元素（建筑材料和周围围岩的矿物相）溶解度的正确计算，特别针对高盐度水溶液（卤水），支持Pitzer离子相互作用方法。THEREDA是全球唯一覆盖整个海洋盐系多温范围的数据库，目前包含锕系元素、裂变产物和一些重金属的数据，并支持导出Geochemist's Workbench和PHREEQC/PhreePlot等常用地球化学代码的参数文件。THEREDA (Thermodynamic Reference Database) is a thermodynamic reference database specifically designed for geochemical modeling of radioactive waste repositories. This database primarily focuses on the accurate calculation of solubilities of radionuclides, fission products, and matrix elements (mineral phases of construction materials and surrounding host rocks), with particular emphasis on high-salinity aqueous solutions (brines), and supports the Pitzer ion interaction method. THEREDA is the only global database covering the entire marine salt system across multiple temperature ranges. Currently, it contains data for actinides, fission products, and some heavy metals, and supports exporting parameter files for common geochemical codes such as Geochemist's Workbench and PHREEQC/PhreePlot.

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背景与挑战

背景概述

THEREDA是一个专为放射性废物储存库地球化学建模设计的热力学参考数据库，重点计算高盐度水溶液中放射性核素、裂变产物和基质元素的溶解度，并支持Pitzer离子相互作用方法。该数据库是全球唯一覆盖整个海洋盐系多温范围的数据源，包含锕系元素、裂变产物和重金属数据，并能导出Geochemist's Workbench和PHREEQC/PhreePlot等常用地球化学代码的参数文件。