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随着核能事业的发展,高放废物的处理和处置问题日益突出.其中,研究高放废物在环境介质中的吸附、扩散和迁移行为是获取放射性核素对周围环境和人群健康影响的基础参数的最重要和最直接的途径.近年来,人们利用已有的实验数据及核素的基础热力学和动力学数据,附以相应的数学模型,建立了一些地球化学模拟软件,用于分析核素在地质介质中可能发生的连续性和长期性变化.目前,国内外常用的地球化学模拟软件有十多种.本文从热力学平衡计算原理、种态分布计算方法和表面配位模型假设等几个方面对地球化学模拟软件进行了简要介绍,对近年来地球化学模拟软件在核素种态分布计算和表面配位模型模拟两方面的应用进行了举例分析,并以Ca-U-CO3配合物为例,说明完备的热力学数据对地球化学模拟软件发展的重要性,以期促进我国地球化学模型的应用和发展.
With the development of nuclear energy industry, the problem of HLW disposal and disposal has become increasingly prominent, among which research on the adsorption, diffusion and migration of HLW in environmental media is the basic parameter for obtaining the effect of radionuclide on the environment and population health Of the most important and direct way.In recent years, people use the existing experimental data and nuclide basic thermodynamics and kinetic data, attached to the corresponding mathematical model, the establishment of a number of geochemical simulation software for the analysis of nuclides There may be more than ten kinds of geochemical simulation softwares commonly used both at home and abroad.Based on the thermodynamic equilibrium calculation principle, the calculation of species distribution and the hypothesis of surface coordination model, The geochemical simulation software is briefly introduced in this paper. The applications of geochemical simulation software in the calculation of the distribution of radionuclides and the coordination of surface coordination model are given in this paper. The Ca-U-CO3 complex is Example, illustrating the importance of complete thermodynamic data for the development of geochemical simulation software with a view to promoting the application of geochemical models in China and Exhibition.