Mass Spectrometric and Theoretical Investigations of High Temperature Systems

高温系统的质谱和理论研究

• 批准号: 8709916
• 负责人: Karl Gingerich
• 金额: $ 17.63万
• 依托单位: Texas A&M Research Foundation
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1987
• 资助国家: 美国
• 起止时间: 1987-12-01 至 1991-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8709916&HistoricalAwards=false
• 关键词: Mass; Spectrometric; Theoretical; Investigations; Temperature

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.

这项研究得到了实验物理化学项目的支持，利用高温努森池技术与质谱测量相结合，来表征难熔过渡金属碳化物和氮化物的蒸气压与温度的函数关系。 然后使用这些数据来表征这些物质的形成焓、热力学函数和键能。 将对小金属簇和选定的双原子金属物质进行类似的测量。 这些研究中获得的数据对于理解化学键合、优化现有和拟议的工艺以及检查从头算量子力学计算的结果非常重要。