炸药爆轰产物高温、中高压状态方程研究

To accurately describe high temperature and medium-high pressure state of detonation products is an important basis for evaluating the power of thermobaric explosive and underwater explosive. This project focus in getting an equation of state for describing gas components of detonation products under not only high temperature and high pressure but also high temperature and medium pressure basing on nonlinear multi-parameters optimization method and combining with the experimental data. Through design the explosive formulation, we study change law of the phase state of detonation products carbon with oxygen balance and detonation properties, establish a multiphase model of carbon and realize compute for the calculation of detonation properties of explosive. By designing experiments and combining theoretical calculation of thermodynamics, we get change law and theory evaluation method for high temperature and medium-high pressure state of detonation products. Through the research on this project, we can effectively solve the problem, which can not accurately describe equation of state detonation products with high temperature and high pressure and high temperature and medium pressure, the achievement provides theoretical and technical support for optimization design and application of new high explosives. Furthermore,it provides the effective basis parameters of thermodynamics and evaluation method for effective evaluation of weapon physics design and damage effect.

准确描述高温、中高压下的炸药爆轰产物状态是评估温压炸药和水下炸药毁伤效应的重要基础。本项目拟采用非线性多参量优化方法，结合爆轰产物气体组分的基础实验数据，获得能够同时描述爆轰产物气体组分高温、高压，高温、中压状态的方程和相应的势参数；通过炸药配方设计，研究爆轰产物碳的相态随氧平衡和爆轰性能的变化规律，建立碳的多相模型，实现炸药爆轰性能的理论计算；通过实验设计，结合热力学理论计算程序，获得炸药爆轰产物高温、中高压状态的变化规律和理论评估方法。通过本项目的研究，有效解决现有炸药爆轰产物状态方程不能同时准确描述高温、高压和高温、中压状态这一难题，为新型高能炸药优化设计和应用研究提供理论和技术基础；进一步为武器物理设计及毁伤效应评估提供有效的热力学基础参数和评估方法。

本项目针对VLW状态方程在描述炸药爆轰产物气体高温、中高压热力学状态方面的不足，提出了能够准确描述炸药爆轰气体产物（CH4、CO2、CO、O2、N2、H2、H2O）高温、中高压热力学状态的状态方程形式VHL。基于爆轰产物气体的VHL状态方程和爆轰产物固相碳的Cowan状态方程，结合最小吉布斯（Gibbs）自由能原理和爆轰CJ理论，编制了炸药爆轰性能计算热力学程序VHL。利用热力学程序VHL成功实现了对宽密度范围的典型炸药（PETN、RDX和TNT）的爆轰性能参数、13组炸药爆温的准确理论计算；基于热力学和反应力场的分子动力学模拟方法（ReaxFF-MD）计算了包含富碳团簇在内的反应产物种类及其含量变化，两种计算方法结果一致。基于热力学程序VHL和等熵条件（S=SCJ），计算获得了TNT炸药、HMX基炸药的爆轰产物JWL状态方程参数。计算结果表明，VHL热力学程序能够有效地表征炸药爆轰产物的热力学状态量，通过与流体力学程序结合可准确地评价炸药的作功能力。提出了有效研究炸药化学反应区结构的方法，避免了人为认定CJ点的误差。基于ZND模型，结合未反应炸药的状态方程，通过在热力学程序VHL中引入压力相关的化学反应速率函数，建立了能够有效描述炸药反应区内压力历程和产物变化历程的理论计算方法。

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