Abstract: The recovery of electronic-grade hydrogen fluoride (HF) gas has good economic, environmental and social benefits. However, the problem of high energy consumption for adsorption recovery limits its further development, and the research on energy conservation and consumption reduction has not been conducted in this field. The calculation model of energy consumption of adsorption cycle is established, and the performance of adsorption cycle is studied exploratively. The adsorption equilibrium isotherm data of HF is calculated by molecular simulation technique. The numerical model of temperature swing adsorption (TSA) is established. The effects of operation parameters, such as adsorption temperature and pressure, on the energy-efficiency of TSA cycle is analyzed, in order to explore the direction of reducing energy consumption and improving efficiency. The results show that when the adsorption temperature reduces from 298 K to 288 K, the recycling energy consumption per unit of quality HF reduces from 14.0912 MJ/kg to 3.1173 MJ/kg, and the energy utilization efficiency increases from 0.02 to 0.0953. Moreover, as the desorption temperature increases from 340 K to 350 K, the recycling energy consumption per unit of quality HF reduces from 14.0912 MJ/kg to 12.0037 MJ/kg, and the energy utilization efficiency increases from 0.02 to 0.0247. It means that the reduction of adsorption temperature has a more obvious effect on the reduction of energy consumption and the improvement of energy efficiency. In addition, the increase of the intake concentration has a positive effect on all indexes. The temperature difference between the heat and cold source and the adsorption and desorption temperature only has a positive effect on the yield. The increase of adsorption pressure has little influence on the indexes other than recovery rate.

Key words: HF, molecular simulation, recovery, desorption, energy consumption, temperature swing adsorption

摘要： 电子级氟化氢（HF）气体的回收具有良好的经济、环境、社会效益。然而吸附法回收的能耗问题限制其进一步发展，如何对其展开节能降耗尚未见专题研究。本文建立了吸附循环能耗等指标的计算模型，对吸附循环的性能展开了探索性研究。采用分子模拟技术，计算获得HF的吸附平衡等温线数据；建立变温吸附循环数值模型，明确表达吸附效能的指标参数；改变吸附温度、压力等运行参数，分析能耗、能效等指标的变化趋势，探索降低能耗提升效率的方向。通过对计算结果的分析表明：吸附温度由298 K降低到288 K,回收单位质量HF能耗由14.0912 MJ/kg降低为3.1173 MJ/kg、能量利用效率由0.02升高到0.0953，解吸温度由340 K升高到350 K，能耗降低为12.0037 MJ/kg、能量利用效率升高到0.0247，可以看出降低吸附温度对回收能耗的降低和能效的提升更为明显。除此以外，提高进气浓度对各指标均有积极影响；冷热源与操作温度的差值大小仅对产率有正向影响；提高吸附压力对回收率以外的各指标影响较小。

关键词: HF, 分子模拟, 回收, 解吸脱附, 能耗, 变温吸附