研究离交色谱法分离硼同位素的过程机理对于实现^(10)B同位素高效富集与分离具有重要的意义。针对前人工作提出的树脂柱吸附10B同位素过程机理无法解释盐酸洗脱过程中的耗酸量与实验现象不符的问题,本文提出一种新的硼同位素吸附过程机理。研究结果表明,Amber IRA 743树脂官能基团中的氨基可能与硼酸根离子发生反应,生成新的物种。实验采用红外光谱法证实了在1 467cm^(-1)处有新峰(N—B键)的生成。研究为深入认识硼同位素吸附-洗脱过程的分子层次行为规律奠定了基础。
Symmetrical quasi-classical （SQC） method based on mapping Hamiltonian is an efficient approach that is potentially useful to treat the nonadiabatic dynamics of very large systems. We try to evaluate the performance ...
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Symmetrical quasi-classical （SQC） method based on mapping Hamiltonian is an efficient approach that is potentially useful to treat the nonadiabatic dynamics of very large systems. We try to evaluate the performance of this method in the ultrafast electron transfer processes involving a few of electronic states and a large number of vibrational modes. The multilayer multiconfigurational time-dependent Hartree （ML-MCTDH） method was used to get the accurate dynamical results for benchmark. Although the population dynamics in the long- time limit show differences in the ML-MCTDH and SQC calculations, the SQC method gives acceptable results.
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