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：

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外磁场对瓦斯爆炸特性的热力学机制研究


为探讨磁场对气体爆炸特性的热力学机制，通过实验研究了300 mT外加磁场对5.7 % C2H6、6.5 % C2H4和7.7 % C2H2体积爆炸特性的影响。 。采用CHEMKIN-PRO软件模拟了三种瓦斯爆炸链式反应过程。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分析，得出三种气体分子在爆炸过程中化学键稳定性的强度。结果表明，磁场减弱了CC、CC、CC的破断率，C2H6、C2H4、C2H2的最大爆炸压力分别降低了12.14%、16.47%、18.71%。三种气体碳碳键强度均弱于碳氢键强度，碳氢键不易断裂，进而降低了裂解反应链引发阶段·H的生成速率，从而表明磁场对C2H6、C2H4和C2H2爆炸具有显着的抑制作用。 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对C2H6和C2H4的抑制作用。