The characteristics and mechanism of NaHCO3 compound fly ash in suppressing gas explosions in pipeline networks

Gas has been widely concerned due to its importance in the industrial and energy fields. In order to improve the inhibition effect of gas explosion, under the self-constructed pipe network system, the inhibition of gas explosion by composite inhibitor of fly ash and NaHCO₃ with different ratios was investigated, and the microscopic inhibition mechanism of the two kinds of powders on the explosion of gas was investigated based on the method of density functional theory and transition state theory from the perspective of molecular dynamics. The results show that: the composite powder explosion suppression is better than a single powder, explosion suppression effect with the increase in the proportion of the mass of NaHCO₃ significantly improve the 5 groups of conditions NaHCO₃ loading of 40% (by mass) is the best, this time, the explosion of the peak overpressure, the peak flame propagation velocity, the peak flame temperature compared to the maximum reduction in the percentage of the measures taken for the maximum of 74.42%, 81.93%, 68.71%. In addition, NaHCO₃, fly ash effectively inhibit the key primitive reaction of gas explosion. When the temperature reaches a certain point, the two and O*, O₂, OH* and H* reaction rate higher than the rate of CH₄ oxidation chain reaction, the dominant reaction, the maximum difference in rate constants of 70.95, 58.81, 60.06, 44.94. The study of the transition from the macro-scale to the molecular level of the study, in-depth understanding of the mechanism of explosion suppression, to reduce the risk of explosion from the ground up, and enriches the Gas explosion prevention and control of the theoretical system, for the operators to provide a strong technical guarantee for safe production.