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摘要: 采用vanderWaals等效单组分流体模型和Ross硬球微扰理论软球修正模型,计算了爆轰气相产 物的状态方程;用石墨相、金刚石相、类石墨液相和类金刚石液相4种相态描述凝聚成分,由Gibbs自由能最 小确定了不同状态下的凝聚产物相态。对爆轰产物混合系统采用自由能最小原理,通过化学平衡方程组求解 了炸药爆轰产物系统的平衡组分。使用该理论计算了高含碳炸药PBX9502Chapman-Jouguet(CJ)点的爆轰 参数,计算值与实验值符合很好;同时计算了3条等温线,并与Sesame库比较,发现温度超过1000 ℃时,计 算值与Sesame库的计算结果比较接近。在计算的5802K 等温线上发现了一个拐点,分析发现是由于在此 处游离态的碳发生了相变。Abstract: TheequationofstateofgasdetonationproductswasdescribedbyRosssmodificationof hard-spherevariationtheoryandtheimprovedone-fluidvanderWaalsmixturemodel.TheGibbsfree energyofdissociatedcarbonwascalculatedforthemostprobablestate,whichwasdeterminedbydistinguishingthefollowingfourstatesofcarbon: graphite,diamond,graphitelikeanddiamondlike. Theequilibriumcompositionsofdetonationproductsarecalculatedbysolvingchemicalequilibriumequationsbasedonminimizingfreeenergy. ThedetonationpropertiesattheCJpointofPBX9502explosivewerecalculatedwiththistheory. Theresultsshowsatisfactoryagreementwiththeexperimentaldata. Comparisonoftheisothermalpressure-densitycurvesdisplaysthattheresultscalculated withthepresenttheoryareingoodagreementwiththosebasedonSesamedatabaseathightemperature. Aslopeisfoundat5802Kisotherm.Thereasonisthatthecarbonphaseischangedatthis point.
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