量子化学在分析化学中的应用——以量子化学半经验CNDO/2方法研究石墨炉原子化器中氢化物原子化机理

The-application of Quantum Chemistry in Analysis Chemistry——The study of Hydrides atomization mechanism in graphite atomizer in quantum chemistry CNDO/2

本文利用量子化学半经验 CNDO/2方法研究了石墨炉原子化器的表面状态对氢化物原子化的影响.研究结果表明:理论与实验完全相符,石墨炉原子化器中氢化物的原子化过程不是—个简单的气相热解过程,而是一个表面催化热解过程.

The influence of the surface state of the graphite furnace atomizer on the at- omization of hydrides has been studied by mean of Quantum chemistry CN- DO/2.The result of study proved that the atomization of Hydrides in the graphite furnace atomizer is not a simple gas phase pyrolytic process,but a surface catalysis pyrolytic process.