Study on influence of magnetic field on ethane explosion mechanism

Abstract

To explore new gas explosion prevention and control technology, experiments on the influence of magnetic field on the explosion characteristics of ethane were carried out, and the effect of magnetic field on the explosion pressure, product component changes and other explosion characteristics were obtained. CHEMKIN-PRO software was used to simulate the explosion chain reaction process and determine the key radicals and main reaction paths. The forces of radical particles under magnetic fields were analyzed through theoretical calculations. Fukui function and population analysis of elementary reaction C2H6+·OH=·C2H5 + H2O were carried out by Material Studio. The results showed that magnetic fields decreased the ethane maximum explosion pressure, pressure rise rate, and average flame propagation speed, while increasing CO and CO2 production and decreasing residual ethane. ·H, ·O, ·OH, ·CH3, and ·C2H5 were identified as the key radicals in the ethane explosion process, with ·OH having the greatest effect on the ethane consumption rate. H5 has the strongest nucleophilic sensitivity and C2 has the strongest electrophilic sensitivity, which leads to that H5 and C2 are the most easily broken sites of chemical bonds during C2H6 explosion. C2H6+·OH has the strongest adsorption capacity and the most unstable structure, and the two are more likely to react. The magnetic field affects the explosion of ethane by weakening the bond energy of CH, and the change of bond energy directly affects the enthalpy change, resulting in the change of ethane consumption rate. At the same time, the magnetic field will also change the migration trajectory of ·OH by applying the magnetic field force, reducing the multi-chain reaction rate of ·OH participation, thereby reducing the chain reaction rate of ·HCO → CO → CO2, showing that the magnetic field has a significant inhibitory effect on the explosion of ethane.