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  • 简介:不良导体导热系数的测量是本科大学物理实验教学的一个重要内容,本文针对仪器的结构缺陷进行分析,并提出实验装置改进建议。

  • 标签: 自然对流 强迫对流 立式 卧式
  • 简介:Inthispaper,theenergy,equilibriumgeometry,andharmonicfrequencyofthegroundelectronicstateofPO2arecomputedusingtheB3LYP,B3P86,CCSD(T),andQCISD(T)methodsinconjunctionwiththe6-311++G(3df,3pd)andcc-pVTZbasissets.AcomparisonbetweenthecomputationalresultsandtheexperimentalvaluesindicatesthattheB3P86/6-311++G(3df,3pd)methodcangivebetterenergycalculationresultsforthePO2molecule.ItisshownthatthegroundstateofthePO2moleculehasC2vsymmetryanditsgroundelectronicstateisX2A1.TheequilibriumparametersofthestructureareRPO=0.1465nm,∠OPO=134.96°,andthedissociationenergyisEd=19.218eV.Thebentvibrationalfrequencyν1=386cm-1,symmetricstretchingfrequencyν2=1095cm-1,andasymmetricstretchingfrequencyν3=1333cm-1areobtained.Onthebasisofatomicandmolecularreactionstatics,areasonabledissociationlimitforthegroundstateofthePO2moleculeisdetermined.ThentheanalyticpotentialenergyfunctionofthePO2moleculeisderivedusingmany-bodyexpansiontheory.ThepotentialcurvescorrectlyreproducetheconfigurationsandthedissociationenergyforthePO2molecule.

  • 标签: 解析势能函数 分子反应 结构参数 氧分压 基态 CCSD(T)