Influence of reaction equilibrium on thermodynamic model calculations of quasi-static pressure for confined TNT explosions
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摘要: 约束爆炸准静态压力热力学模型可有效描述压力随当量体积比m/V的变化,并可基于物质组分、温度结果进一步导出气体绝热系数等物理量。然而,基于炸药爆轰和燃烧方程建立的不考虑反应平衡的热力学模型结果在反应产物中有碳单质析出后与美国UFC 3-340-02结构抗爆规范中的准静态压力曲线表现出偏差,且已有研究缺乏对TNT约束爆炸准静态压力热力学模型中各结果物理量考虑反应平衡必要性的论述。为探究反应平衡对热力学模型计算结果的影响,首先基于等容过程的能量守恒方程及固体碳析出现象,修正了不考虑反应平衡的热力学模型,提高了模型结果在m/V>0.371 kg/m3与UFC曲线的一致性。进一步地,基于统一的模型求解框架对比了考虑与不考虑反应平衡的热力学模型结果。研究表明:化学反应平衡的引入对准静态压力造成的最大相对差异小于20%,然而固体碳生成时对应的m/V由0.371 kg/m3转变为3.850 kg/m3,温度达到峰值时对应的m/V由0.371 kg/m3转变为0.680 kg/m3,且物质组分和温度结果的差异在m/V>0.1 kg/m3后随m/V的增大逐渐显著。因此,在计算m/V>0.1 kg/m3的TNT约束爆炸工况中与物质组分及温度直接相关的物理量时,有必要采用考虑反应平衡的模型。最后,基于符号回归算法,提出了考虑反应平衡的TNT约束爆炸准静态阶段物质组分、温度及压力的简化计算方法。研究有助于理论界定在TNT约束爆炸热力学模型中考虑反应平衡的必要性,并实现准静态阶段热力学参数的快速准确计算。
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Abstract: The quasi-static pressure thermodynamic model for confined explosions provides an effective characterization of pressure evolution with mass-to-volume ratio m/V while enabling the derivation of critical parameters, including adiabatic index through moles of product and quasi-static temperature. However, the thermodynamic model based on detonation and combustion equations that neglects reaction equilibrium demonstrates growing deviations from the quasi-static pressure curve in UFC 3-340-02 blast-resistant design standard after carbon precipitates in detonation products, and existing research inadequately addresses the necessity of incorporating reaction equilibrium for various physical quantities in Trinitrotoluene (TNT) confined explosion thermodynamic models. To investigate the impact of reaction equilibrium on thermodynamic model results, the model neglecting reaction equilibrium was first modified based on the energy conservation equation of isochoric processes and the solid carbon precipitation phenomenon, which improves the model's consistency with the UFC curve when m/V≥0.371 kg/m3. Then, a comparative analysis was conducted on the results of thermodynamic models considering and not considering the reaction equilibrium based on the unified solution framework. The two thermodynamic models were solved within the range of 0.01 kg/m3≤m/V≤10 kg/m3 by using Newton's method and back propagation algorithm. The results indicate that while reaction equilibrium consideration induces less than 20% variation in quasi-static pressure predictions, it alters critical thresholds: the m/V for carbon precipitation shifts from 0.371 to 3.850 kg/m3, and peak temperature transitions from 0.371 to 0.680 kg/m3. Significant divergence in mole numbers of product composition emerges progressively when m/V exceeds 0.1 kg/m3. Therefore, the reaction equilibrium-based thermodynamic model is a more rational choice for calculating quantities related to components and temperature in TNT confined explosions with m/V>0.1 kg/m3. Finally, a simplified approach employing symbolic regression was developed for calculating moles of products, temperature, and pressure during the quasi-static phase of TNT confined explosions and shows high alignment with thermodynamic model results. The research contributes to a theoretical understanding of equilibrium effects on thermodynamic model results and the practical implementation of rapid parameter estimation in TNT confined explosion scenarios. -
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