中国激光, 2010, 37 (11): 2838, 网络出版: 2010-11-16   

基于NCl3/I2体系的化学发生碘原子源数值模拟研究

Simulations of Chemical Atomic Iodine Generator Based on NCl3/I2
作者单位
中国科学院大连化学物理研究所化学激光重点实验室, 辽宁 大连 116023
摘要
提出了以NCl3分解燃烧产生Cl原子随后与含碘化合物发生作用获得碘原子的技术方法。建立了NCl3/I2燃烧体系的化学反应动力学模型, 利用开发的Matlab程序进行了一维数值模拟计算。计算结果表明, I2与NCl3的流量配比对碘原子粒子数密度和产率的影响较大, 且存在一个最佳范围, 该最佳范围随着总压力的增大而逐渐变小。最优化的碘原子产率随着压力的增大一直在减小, 说明较高的压力会损害碘原子的产生效率, 因而该方法比较适合直接加入到主气流中进行反应以产生碘原子。当初始压力P0=666.61 Pa时I2与NCl3的初始配比的最佳值为0.62, 此时碘原子相对于NCl3的产率为117%, 相对于I2的产率为189%。计算结果说明基于NCl3/I2体系发生碘原子是一种比较有效的产生碘原子的途径。
Abstract
A chemical method of iodine atoms generation based on NCl3 is proposed. Iodine atoms are generated by the reaction of iodine donors with chlorine atoms produced from the combustion of NCl3. A chemical model for NCl3/I2 reaction system is developed. Simplified one-dimensional numerical simulations are carried out with a developed Matlab code. The results indicate that the number density and yield of iodine atoms are significantly influenced by the molar flow rate ratio of I2 to NCl3, and the optimum ratio decreases with the total pressure. The optimum yield of iodine atoms decreases with the total pressure, which indicates that this method favorites direct injection into the main gas flow to produce iodine atoms. The optimum ratio of I2 to NCl3 is 0.62 at the pressure of 666.61 Pa with iodine atom yield of 117% versus NCl3 and 189% versus I2. The modeling results show that the NCl3/I2 reaction system is an effective method to produce iodine atoms.
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李留成, 多丽萍. 基于NCl3/I2体系的化学发生碘原子源数值模拟研究[J]. 中国激光, 2010, 37(11): 2838. Li Liucheng, Duo Liping. Simulations of Chemical Atomic Iodine Generator Based on NCl3/I2[J]. Chinese Journal of Lasers, 2010, 37(11): 2838.

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