气固两相介质协同抑制瓦斯爆炸实验及分子动力学研究

谯永刚 华杰 袁丹萍 张泽宇 左文哲

谯永刚, 华杰, 袁丹萍, 张泽宇, 左文哲. 气固两相介质协同抑制瓦斯爆炸实验及分子动力学研究[J]. 爆炸与冲击, 2024, 44(5): 055402. doi: 10.11883/bzycj-2023-0322
引用本文: 谯永刚, 华杰, 袁丹萍, 张泽宇, 左文哲. 气固两相介质协同抑制瓦斯爆炸实验及分子动力学研究[J]. 爆炸与冲击, 2024, 44(5): 055402. doi: 10.11883/bzycj-2023-0322
QIAO Yonggang, HUA Jie, YUAN Danping, ZHANG Zeyu, ZUO Wenzhe. Experimental and molecular dynamics studies on the synergistic suppression of gas explosions in gas-solid media[J]. Explosion And Shock Waves, 2024, 44(5): 055402. doi: 10.11883/bzycj-2023-0322
Citation: QIAO Yonggang, HUA Jie, YUAN Danping, ZHANG Zeyu, ZUO Wenzhe. Experimental and molecular dynamics studies on the synergistic suppression of gas explosions in gas-solid media[J]. Explosion And Shock Waves, 2024, 44(5): 055402. doi: 10.11883/bzycj-2023-0322

气固两相介质协同抑制瓦斯爆炸实验及分子动力学研究

doi: 10.11883/bzycj-2023-0322
基金项目: 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);
详细信息
    作者简介:

    谯永刚(1984- ),男,副研究员,博士研究生,qiaoyonggang@tyut.edu.cn

    通讯作者:

    华 杰(1998- ),男,硕士研究生,hahahuajie@163.com

  • 中图分类号: O389

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

  • 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CO2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CO2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CO2、单相NaHCO3粉体使最大爆炸压力降低,采用体积分数为8%的CO2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CO2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CO2与混合体系中的CO2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。
  • 图  1  20 L球形爆炸实验系统

    Figure  1.  20 L spherical explosion system

    图  2  NaHCO3粒径分布与表面微观表征

    Figure  2.  NaHCO3 particle size distribution and surface microscopic characterization

    图  3  NaHCO3粉体TG-DSC曲线

    Figure  3.  TG-DSC curves of NaHCO3 powder

    图  4  CO2体积分数对火焰形态影响

    Figure  4.  Effect of CO2 volume fraction on flame shape

    图  5  CO2作用下瓦斯爆炸特性

    Figure  5.  Gas explosion characteristic under the action of CO2

    图  6  NaHCO3粉体作用下火焰的传播形态

    Figure  6.  Flame propagation morphology under the action of NaHCO3 powder

    图  7  NaHCO3粉体作用下瓦斯爆炸特性参数的变化

    Figure  7.  Change of gas explosion characteristic parameters under the action of NaHCO3 powder

    图  8  气固两相介质作用下瓦斯爆炸参数的变化

    Figure  8.  Variation of gas explosion parameters in gas-solid two-phase medium

    图  9  气固协同抑制下甲烷爆炸火焰的形态变化

    Figure  9.  Change of the methane explosion flame morphology under gas-solid synergistic inhibition

    表  1  甲烷爆炸微观反应简化机理[28]

    Table  1.   Simplified microscopic reaction mechanism of methane explosion[28]

    反应方程式
    R1CH3·+O2→O·+CH3O
    R2CH3·+O2→OH·+CH2O
    R3H·+O2→O·+OH·
    R4HO2+CH3·→OH·+CH3O
    R5CH3·+CH2O→HCO·+CH4
    R6H·+CH4→CH3·+H2
    R7OH·+CH4→CH3·+H2O
    R8H·+CH2O (+M)→CH3O(+M)
    下载: 导出CSV

    表  2  气固两相介质协同作用下甲烷爆炸微观反应机理热力学数据及自由能垒

    Table  2.   Thermodynamic data and free energy barriers for the microscopic reaction mechanism of methane explosion under the synergistic action of gas-solid medium

    反应 状态 H/E0 G/E0 E/E0 ΔGa/ (kJ·mol−1 ΔGb/ (kJ·mol−1 ΔH/ (kJ·mol−1 ΔG/ (kJ·mol−1
    R1 CH3·+O2 −190.17 −190.20 −190.17
    CH3·+O·+O· −190.16 −190.19 −190.16 13.03 42.94 −32.58 −29.91
    O·+CH3O −190.18 −190.21 −190.18
    R2 CH3·+O2 −190.17 −190.20 −190.17
    CH3·+2O·+H· −190.13 −190.16 −190.13 109.30 117.92 −75.45 −8.62
    OH·+CH2O −190.20 −190.20 −190.27
    R3 H·+O2 −150.90 −150.92 −150.90
    H·+O·+O· −150.78 −150.80 −150.78 311.22 101.04 246.52 210.18
    O·+OH· −150.80 −150.84 −150.82
    R4 HO2+CH3· −190.70 −190.74 −190.70
    CH3·+O·+OH· −190.70 −190.73 −190.70 19.51 230.38 −258.24 −210.87
    OH·+CH3O −190.80 −190.82 −190.80
    R5 CH3·+CH2O −154.27 −154.32 −154.27
    CH3·+H·+HCO· −154.23 −154.23 −154.28 235.68 277.37 −55.19 −41.69
    HCO·+CH4 −154.29 −154.33 −154.30
    R6 H·+CH4 −40.97 −41.00 −40.97
    CH3·+H·+H· −40.97 −40.97 −40.95 67.71 70.98 1.67 −3.26
    CH3·+H2 −40.97 −41.00 −40.97
    R7 OH·+CH4 −116.21 −116.24 −116.20
    CH3·+H·+OH· −116.19 −116.23 −116.19 22.90 79.51 −39.95 −56.61
    CH3·+H2O −116.23 −116.26 −116.22
    R8 H·+CH2O −115.05 −115.07 −115.08
    CH2O·+H· −115.05 −115.06 −115.08 19.20 101.71 −125.37 −82.51
    CH3O −115.10 −115.10 −115.14
    R9 NaOH+OH· −313.87 −313.90 −313.87
    NaO·+H2O −313.86 −313.89 −313.86 15.84 13.52
    R10 NaOH+H· −238.68 −238.71 −238.68
    Na·+H2O −238.51 −238.57 −238.51 442.60 367.43
     注:E0=2625.5 kJ/mol
    下载: 导出CSV
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  • 收稿日期:  2023-09-06
  • 修回日期:  2023-12-10
  • 网络出版日期:  2024-01-25
  • 刊出日期:  2024-05-08

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