基于Aspen Plus的11BF3同位素分离工艺模拟研究

11BF3 Isotope Separation Process Simulation Based on Aspen Plus

  • 摘要: 为实现高丰度11BF3同位素分离工艺的优化设计,本文通过自定义组分,补充商用化工流程模拟软件Aspen Plus数据库中同位素分子的相对分子质量和饱和蒸气压数据,回归扩展安托因方程参数,建立了基于Aspen Plus的11BF3同位素分离工艺模型。以两组实验数据为依据,采用默弗里板效率修正Aspen Plus中的模型,获得两组模拟值与实验值间的相对误差分别为-2.69%和0.91%,表明修正后的模型可较好地描述11BF3同位素分离过程。最后根据建立的数学模型分析了理论塔板数、回流比和塔顶压力对交换塔塔顶11BF3同位素丰度的影响。结果表明,塔顶压力降低、回流比增加和理论塔板数增加均有利于11BF3同位素的富集。通过计算得到当塔顶压力为常压、理论塔板数为720、回流比为300时,交换塔塔顶丰度达到最大值99.95%。本文结果可为后续的优化设计提供理论依据。

     

    Abstract: Due to the small thermal neutron absorption cross section of 11B isotope, high abundance 11BF3 is regarded as an important ion implanted gas and P-type doping source, and is mainly used in semiconductor material manufacturing process to significantly improve the anti-radiation interference ability of semiconductor devices. In order to achieve the optimal design of the high-abundance 11BF3 isotope separation process, the mechanism of chemical exchange separation of 11BF3 isotopes was analyzed firstly, and the results show that the difference of intermolecular forces is responsible for the isotope separation. Then, the relative molecular weight and saturated vapor pressure data of isotope molecules were supplemented by self-defined components, and the parameters of the extended Antoine equation were regression extended in the Aspen Plus commercial chemical process simulation software. The process model of 11BF3 isotope separation based on Aspen Plus was established. RStoic reactor module was used for complexation and cracking reaction calculation, and Radfrac strict rectification module was used for exchange process calculation. Since the separation coefficient calculated by using NRTL-RK thermodynamic method was the closest to the experimental value, NRTL-RK thermodynamic method was selected for calculation in the exchange tower. In the complex tower and the cracking tower, the gas-liquid exchange process was not considered, so NRTL thermodynamic method was used. Next, based on the two sets of experimental data, the Murfree plate efficiency was used to correct the model in Aspen Plus, and the relative errors between the two sets of simulated and experimental values are -2.69% and 0.91%, respectively. It shows that the modified model can describe the process of 11BF3 isotope separation well. Finally, according to the established mathematical model, the effects of theoretical plate number, reflux ratio and column top pressure on the 11BF3 isotopic abundance at the top of the exchange column were analyzed. The results show that the decrease of the column top pressure, the increase of the reflux ratio and the increase of the theoretical plate number are all beneficial to the 11BF3 isotopic abundance. The maximum abundance of the exchange tower reaches 99.95% when the column top pressure is atmospheric pressure, the theoretical plate number is 720 and the reflux ratio is 300. The results of this paper can provide a theoretical basis for the subsequent optimization design. Subsequently, the 11BF3 isotope separation process model established in this paper can be further used to conduct multi-objective comprehensive analysis of investment cost, operating cost and abundance.

     

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