Mass Spectrometric and Theoretical Investigations of High Temperature Systems

这项研究得到了实验物理化学计划的支持，使用高温Knudsen池技术结合质谱学测量来表征难熔过渡金属碳化物和氮化物的蒸汽压随温度的变化。这些数据随后被用来表征这些物种的生成热焓、热力学函数和键能。将对小的金属团簇和选定的双原子金属物种进行类似的测量。在这些研究中获得的数据对于理解化学键、优化现有的和拟议的工艺以及检验从头计算的结果是重要的。

This research, supported in the Experimental Physical Chemistry program, uses high temperature Knudsen cell techniques coupled with mass spectrometric measurements to characterize the vapor pressure of refractory transition metal carbides and nitrides as a function of temperature. These data are then used to characterize enthalpies of formation, thermodynamic functions and bond energies of these species. Similar measurements will be made for small metal clusters and selected diatomic metal species. The data obtained in these studies are important for the understanding of chemical bonding, for optimizing existing and proposed processes and for checking the results of ab-initio quantum mechanics calculations.