Supervisor:
Southwest Ordnance Industry Bureau
Organizer:
Chongqing Ordnance Industry Society
Chongqing University of Technology
Chongqing University of Technology
Theoretical analysis and numerical simulation of hydrogen and fluorine detonation parameters based on VLW equation of state
| DOI: | 10.11809/bqzbgcxb2024.05.010 |
| Keywords: | VLW equation of state; hydrogen andfluoride; gaseous detonation; molecular dynamics; theoretical analysis; numerical simulation |
| 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. |
| Published: | 2024-05-31 |