Chemometric Support for Temperature-programmed Sensing System

The Temperature Programmed Sensing (TPS) system developed at NIST presents many opportunities and unique challenges. The data output from the system can be quite complex and there are many opportunities to optimize the system for specific sensing scenarios. We propose a program aimed at characterizing the system so that potential problems (such as system drift) can be solved early so that the full potential of the system can be realized. The plan includes studies on the stability and theoretical functionality of the sensors. This will result in procedures for instrument standardization and data base-lining. After this is accomplished, advanced preprocessing methods will be considered, along with the use of multi-way (¿second order¿) data modeling methods for use in calibration and classification. Finally, procedures for optimizing the system for specific applications will be developed.