To investigate the thermodynamic mechanism of the magnetic field on the explosion characteristics of gases, experiments were carried out to study the influence of the applied magnetic field of 300 mT on the explosion characteristics of 5.7 % C2H6, 6.5 % C2H4 and 7.7 % C2H2 by volume. CHEMKIN-PRO software was used to simulate the three kinds of gas explosion chain reaction process. The chemical bond strength, stability and bond energy of the three gases were calculated and analyzed by Materials Studio software to derive the strength of chemical bond stability of the three gas molecules in the explosion process. The results show that the magnetic field weakened the breaking rate of CC, CC, and CC, the maximum explosion pressures of C2H6, C2H4, and C2H2 were reduced by 12.14 %, 16.47 %, and 18.71 %. The three gases carbon–carbon bond strength was weaker than the strength of the carbon-hydrogen bond, carbon-hydrogen bond was not easy to break, which in turn reduced the rate of generation of ·H in the chain initiation stage of the cleavage reaction, thus presenting a significant inhibitory effect of the magnetic field on C2H6, C2H4, and C2H2 explosions. The COOP of CC is 0.377 Ha, and the bond energy is 839 KJ/mol, which was greater than CC and CC, so the number of free radicals generated in the C2H2 cleavage reaction was lower, leading to a slower chain reaction rate which led to a stronger inhibitory effect of the magnetic field on C2H2 explosions than that on C2H6 and C2H4.

中文翻译：

---

外磁场对瓦斯爆炸特性的热力学机理研究


为研究磁场对气体爆炸特性的热力学机制，进行了实验，研究了施加 300 mT 磁场对体积计为 5.7 % C2H6、6.5 % C2H4 和 7.7 % C2H2 爆炸特性的影响。采用 CHEMKIN-PRO 软件模拟三种气体爆炸链式反应过程。利用 Materials Studio 软件对三种气体的化学键强度、稳定性和键能进行计算和分析，得出三种气体分子在爆炸过程中的化学键稳定性强度。结果表明：磁场减弱了CC、CC和CC的破断率，C2H6、C2H4和C2H2的最大爆炸压力分别降低了12.14 %、16.47 %和18.71 %。这三种气体的碳-碳键强度弱于碳-氢键的强度，碳-氢键不易断裂，这反过来又降低了 ·H 在裂解反应的链起始阶段，从而呈现磁场对 C2H6、C2H4 和 C2H2 爆炸的显着抑制作用。CC 的 COOP 为 0.377 Ha，键能为 839 KJ/mol，大于 CC 和 CC，因此 C2H2 裂解反应中产生的自由基数量较低，导致链式反应速率较慢，导致磁场对 C2H2 爆炸的抑制作用强于 C2H6 和 C2H4。