基于VLW状态方程的氢氟爆轰参数理论分析及数值模拟研究
Theoretical analysis and numerical simulation of hydrogen and fluorine detonation parameters based on VLW equation of state
陈庆慈 1陈放 1周壮壮 1乔红伟1
作者信息
- 1. 北京理工大学 爆炸科学与技术国家重点实验室,北京 100081
- 折叠
摘要
氟气是具有强氧化性的气体,与氢气会发生剧烈的化学反应,为了得到氢氟爆轰的爆轰参数,基于VLW状态方程与爆轰理论对氟气与氢气在标准状况预混条件下爆轰性能进行了理论计算,当氢气与氟气的摩尔比为 1∶1 时,计算得到爆压为15.31 MPa,爆温为6 479 K.利用materials studio与CP/2K分子动力学模拟计算了氢与氟的反应,对现有氢氟反应机理进行了完善.最后通过FLUENT流体动力学仿真软件对摩尔比为 1∶1 时的氢氟爆轰进行了仿真计算,因爆轰波在管道内多次叠加,所以计算出超压可达46 MPa,高于理论爆压值的15.31 MPa;管道内计算出的温度可达6 800 K,与理论爆温值相差4.6%,对研究氢氟爆轰条件与能量释放规律具有一定借鉴意义.
Abstract
Fluorine gas is a potent oxidizer and will react chemically violently with hydrogen.The detonation performance of fluorine and hydrogen under typical premixed circumstances was computed based on the VLW equation of state and the detonation theory in order to determine the detonation parameters of fluorine detonation.Hydrogen and fluorine have a molar ratio of 1∶1,which results in a detonation pressure of 15.31 MPa and a detonation temperature of 6 479 K.The reaction between hydrogen and fluorine was calculated using materials studio and CP/2K molecular dynamics simulation,and the already-existing reaction mechanism of hydrogen and fluorine was improved.The hydrogen fluoride detonation with a 1∶1 molar ratio was finally simulated using the fluid dynamics modeling program FLUENT.The calculated overpressure,which can be higher than the theoretical detonation pressure value of 15.31 MPa due to the superposition of the detonation waves in the pipeline several times,can exceed 41 MPa.The computed pipeline temperature can reach 6 800 K,and the inaccuracy of 4.6%is commensurate with the predicted temperature of an explosion.This essay can be utilized as a resource while researching the hydrogen fluoride detonation conditions and energy release regulations.
关键词
VLW状态方程/氢与氟/气相爆轰/分子动力学/理论分析/数值模拟Key words
VLW equation of state/hydrogen andfluoride/gaseous detonation/molecular dynamics/theoretical analysis/numerical simulation引用本文复制引用
出版年
2024
NETL
NSTL
万方数据