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.

在实验物理化学计划中支持的这项研究使用高温纳特森细胞技术，并结合质谱测量，以表征难治性过渡金属碳化物和硝酸盐的蒸气压力作为温度的功能。 然后，这些数据用于表征这些物种的形成，热力学功能和键能的焓。 将对小型金属簇和选定的双原子金属进行类似的测量。 在这些研究中获得的数据对于理解化学键，优化现有和提出的过程以及检查Ab-Initio量子力学计算结果至关重要。