气固两相介质协同抑制瓦斯爆炸实验及分子动力学研究  

Experimental and molecular dynamics studies on the synergistic suppression of gas explosions in gas-solid media

作　　者：谯永刚 华杰 袁丹萍 张泽宇 左文哲 QIAO Yonggang;HUA Jie;YUAN Danping;ZHANG Zeyu;ZUO Wenzhe(College of Safety and Emergency Management Engineering,Taiyuan University of Technology,Taiyuan 030024,Shanxi,China;School of Safety Engineering,China University of Mining and Technology,Xuzhou 221116,Jiangsu,China;Shanxi Institute of Geology and Mineral Resources Company Limited,Taiyuan 030001,Shanxi,China)

机构地区：[1]太原理工大学安全与应急管理工程学院,山西太原030024 [2]中国矿业大学安全工程学院,江苏徐州221116 [3]山西省地质矿产研究院有限公司,山西太原030001

出　　处：《爆炸与冲击》2024年第5期167-178,共12页Explosion and Shock Waves

基　　金：国家自然科学基金联合基金(U1810206);山西省青年科学研究项目(202103021223116)。

摘　　要：针对传统单相抑爆介质效果不佳的问题,提出气固两相介质通过不同抑爆原理的协同作用,实现高效快速抑制瓦斯爆炸。研究使用NaHCO3粉体与CO_(2)气体协同抑制瓦斯爆炸的方法,选用标准20 L球形爆炸测试装置,并通过密度泛函理论对甲烷爆炸微观反应机理中各反应物、过渡态、产物进行构型优化,在此基础上进行后续计算。结果表明:体积分数为16%的CO_(2)和质量浓度为0.35 g/L的NaHCO3单相介质对瓦斯爆炸具有优良的抑制效果,但0.1 g/L粉体存在时会使最大升压速率提升17.9%;气固两相介质抑爆相较单相CO_(2)、单相NaHCO3粉体使最大爆炸压力降低,采用体积分数为8%的CO_(2)协同0.125 g/L粉体时,瓦斯爆炸最大爆炸压力降低72.42%,最大升压速率降至2.345 MPa/s,抑制效果达到最优;但当体积分数为4%的CO_(2)协同0.05 g/L粉体时会使最大爆炸升压速率上升93.68%,反应呈现出一定的加剧现象;量子化学计算表明,在气固两相介质协同抑制瓦斯爆炸的过程中,NaHCO3粉体裂解会吸收反应体系中的热量,其分解产物会与混合体系中的OH·、H·优先反应,阻碍O·的产生,将链式过程抑制在CH2O阶段,进而抑制链式反应的传递过程;NaHCO3粉体分解产生的CO_(2)与混合体系中的CO_(2)稀释了混合体系中甲烷的体积分数,减少甲烷与氧气分子之间碰撞发生的概率,对反应进程起到有效抑制作用。Aiming at the problem that the traditional single-phase explosion suppression medium is not effective,it is proposed that the gas-solid two-phase medium cooperates with different explosion suppression principles to achieve efficient and rapid suppression of gas explosion.The method of using NaHCO_(3) powder and CO_(2) gas to synergistically suppress gas explosion was studied.The standard 20 L spherical explosion test device was selected,and the configuration optimization of reactants,transition states and products in the microscopic reaction mechanism of methane explosion was carried out by DFT(density funchtion theory).On this basis,the subsequent calculation was carried out.The results show that the single-phase medium with a volume fraction of 16%CO_(2) and 0.35 g/L NaHCO_(3) has an excellent effect on suppressing gas explosion,but the presence of 0.1 g/L powder will increase the maximum boosting rate by 17.9%.Compared with single-phase CO_(2) and single-phase NaHCO_(3) powder,the gas-solid two-phase medium explosion suppression phase reduces the maximum explosion pressure.When 8%volume fraction CO_(2) is used in conjunction with 0.125 g/L powder,the maximum explosion pressure of gas explosion is reduced by 72.42%,and the maximum pressure rise rate is reduced to 2.345 MPa/s.The suppression effect is optimal;however,when 4%volume fraction CO_(2) cooperates with 0.05 g/L powder,the maximum explosion pressure rise rate increases by 93.68%,and the reaction shows a certain intensification phenomenon.The quantum chemical calculation shows that in the process of gas-solid two-phase medium synergistic inhibition of gas explosion,the decomposition of NaHCO_(3) powder will absorb the heat in the reaction system,and its decomposition products will preferentially react with OH·and H·in the mixed system,hindering the generation of O·,inhibiting the chain process in the CH2O stage,and then inhibiting the transfer process of chain reaction.The CO_(2) produced by the decomposition of NaHCO_(3) powder and the CO_(2) in the

关 键 词：抑制瓦斯爆炸 气固两相介质协同 反应机理 混合体系 吸热 分子动力学 

分 类 号：O389[理学—流体力学]