Mass Spectrometric and Theoretical Investigations of High Temperature Systems

这项研究得到了实验物理化学的支持， 程序，采用高温努森细胞技术耦合 用质谱测量来表征蒸汽 难熔过渡金属碳化物和氮化物的压力 as a function函数of temperature温度. 这些数据将用于 表征形成的热力学函数 和键能。 类似的测量将 适用于小金属簇和选定的双原子金属 物种 在这些研究中获得的数据对于 了解化学键合，优化现有和 建议的方法和检查从头算的结果 量子力学计算

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.