Influence of reaction equilibrium on thermodynamic model calculations of quasi-static pressure for confined TNT explosions

The quasi-static pressure thermodynamic model for confined explosions provides an effective characterization of pressure evolution with mass-to-volume ratio m/V, and derivation of physical quantities such as gas adiabatic index from products and 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 TNT confined explosion thermodynamic models. In order to investigate the influence of reaction equilibrium on thermodynamic calculation results, the model neglecting reaction equilibrium was modified based on the energy conservation equation of isochoric processes and the solid carbon precipitation phenomenon. The modified model has a consistency with the UFC curve for 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 results indicate that incorporating chemical equilibrium into quasi-static pressure calculation introduces a maximum relative deviation below 20%, and critical thresholds alters, i.e., 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 calculation method for products, temperature, and pressure during the quasi-static phase of TNT confined explosions considering reaction equilibrium is proposed based on symbolic regression algorithm. 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.