关键词: 哈龙替代, 一溴三氟丙烯(BTP), HF生成量, 热分解, 预测模型

In the fire-extinguishing process by halocarbon fire extinguishing agent, HF that produced by halocarbon decomposition not only has severe erosion to the metal apparatus, but also make serious harm to the people in fire scene. So the production of HF in fire extinguishing process is an important factor for the application of halocarbon fire extinguishing agent. 1-Bromo-3,3,3-trifluoropropene (BTP), as a kind of tropodegradable halocarbon, is believed to be a potential Halon replacement by fire scientists. However, the study about HF production amount and mechanism is not thorough until now. In this paper, the decomposition of BTP under different temperature is calculated by ab initio method at B3LYP/6-311＋＋G (d,p) level firstly. And then, the production amount of HF is measured real-timely by in-situ spectral diagnostics method when BTP is discharged into the fire protection place. Furthermore, on the basis of the ab initio calculation results and theory analysis of thermodynamics, the model for predicting HF production amount is set up. Finally, by comparing the calculated results and experimental results about HF production amount, the HF production predicting theory model was validated. The research results in the paper show that the flame temperature and the interaction time between BTP and flame are key factors for the HF production amount. By the real time experimental measuring, the HF production amount predicting model that set up on the base of ab initio calculation results is proved to be veracious. The research results in this paper can provide a basis for optimizing BTP system designation and broaden the scope of BTP engineering applications.

Key words: Halon replacement, 1-bromo-3,3,3-trifluoropropene (BTP), HF production amount, thermal decomposition, prediction model