化学种态分析软件CHEMSPEC最新进展

    Chemical Speciation Analysis Code CHEMSPEC and Its New Improvements

    • 摘要: 我国高放废物地质处置研发工作已经步入建造地下实验室阶段。地下实验室建造安全评价和未来的处置库性能评价中均需要关键放射性核素在相应深部地质条件下的扩散和迁移参数,而关键核素的扩散和迁移参数与核素在相应水岩体系中的化学种态密切相关。为满足我国核设施退役治理工作的需要,尤其是我国高放废物地质处置相关安全评价的需要,北京大学核环境化学课题组于2008年开始编写具有完全著作权的化学种态分析软件CHEMSPEC。经过多次修改和完善,目前已经具备了较好的计算功能。本文介绍该软件在表面配合模型、数据库补充和程序优化方面的最新进展,以实例形式介绍该软件的新性能,以期为我国相关实验研究者使用该软件提供参考。

       

      Abstract: The high level radioactive wastes disposal R&D in China has stepped into the process of constructing underground research laboratory(URL). In the safety assessment in constructing the URL, and in the performance assessment for the potential geological repository, the diffusion and migration parameters of key radionuclides in corresponding deep geologic environments are needed. While these parameters are strongly related with the species of radionuclides in the corresponding water/rock systems. In order to serve the need in the safety assessment for decommissioning of nuclear facilities, especially the need for performance assessment of potential geological repository, the Nuclear Environmental Chemistry Group of Peking University has been writing a chemical speciation analysis code, CHEMSPEC, since 2008. The code has been modified for several times and currently is available to be used to calculate the speciation of radionuclides in different conditions. This paper introduces the recent development of CHEMSPEC, especially in surface complexation, database improvement, discusses of several calculation cases and the future work of this code.

       

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