高温高压CO_2状态方程研究  

High Temperature and High Pressure Equation of State of Carbon Dioxide

作　　者：韩勇[1] 郭向利[1] 龙新平[2] 

机构地区：[1]中国工程物理研究院化工材料研究所,四川绵阳621999 [2]中国工程物理研究院,四川绵阳621999

出　　处：《含能材料》2016年第5期462-468,共7页Chinese Journal of Energetic Materials

基　　金：国家自然科学基金(11372291)

摘　　要：针对爆轰环境下高温高压气体的热力学状态描述,本研究提出了一种基于Lennard-Jones(LJ)势能函数的对比态维里型状态方程VHL(Viral-Han-Long)。基于该状态方程形式和优化的LJ势参数,计算了爆轰产物气体组分CO_2的压力、体积和温度(pVT)热力学关系,并与VLW状态方程的计算结果进行了比较,结果表明,采用VHL状态方程计算得到CO_2体积平均绝对偏差为0.971%,最大偏差为4.04%,采用VLW状态方程计算所得平均绝对偏差20.2%,最大偏差87.149%。VLW状态方程在描述CO_2的高温高压热力学状态时,具有明显的温度相关性,在爆轰环境温度下,计算所得体积偏差随温度的升高而逐渐减小。与VLW状态方程相比,VHL状态方程能够更好的描述爆轰环境下高温、高压CO_2气体的pVT热力学关系。Aiming at the thermodynamic state description of high temperature and high pressure gases under detonation circum- stance, a contrast state type virial equation of state（EOS） named as VHL（ViraI-Han-Long） based on Lennard-Jones（LJ） potential function is presented in this study. Based on the VHL EOS and optimized LJ potential parameters, the thermodynamic relations of pressure,volume and temperature（pVT） of detonation products component carbon dioxide （CO2） were calculated and compared with the calculated results byVLW EOS. Results show that the average absolutedeviation（AAD） of the volume is about 0.971% and the maximum error is 4.04%, the average absolute deviation（AAD） of the volume obtained by VLW EOS is about 20.2% and the maximum error is 87. 149%. In describing the thermodynamic state of CO2 at high temperature and high pressure, VLW EOS has an obvious dependence on temperature. At the detonation environment temperature, the calculated deviation of the vol- ume decreases with the rise of temperature. Compared with VLW EOS, VHL EOS can better describe the pVTthermodynamic rela- tions of high temperature and high pressure CO2 gas under detonation environment.

关 键 词：状态方程 Lennard-Jones(LJ)势能函数 CO2 高温高压 

分 类 号：TQ560.1[化学工程—炸药化工]