Classical Least Squares Transformations of Sensor Array Pattern Vectors into Vapor Descriptors

Grate, Jay W. ; Wise, Barry M. ; Gallagher, Neal B.

Pacific Northwest National Laboratory (U.S.)

关键词: Solvation;    Multivariate Analysis;    Acoustics;    37 Inorganic, Organic, Physical And Analytical Chemistry;    Gas Analysis;   

DOI  :  10.2172/15010106
RP-ID  :  PNNL-14169
RP-ID  :  AC05-76RL01830
RP-ID  :  15010106

美国|英语

来源: UNT Digital Library

【 摘 要 】

A new method of processing multivariate response data to extract chemical information has been developed. Sensor array response patterns are transformed into a vector containing values for solvation parameter descriptors of the detected vapor's properties. These results can be obtained by using a method similar to classical least squares, and equations have been derived for mass-transducing sensors or volume-transducing sensors. Polymer-coated acoustic wave devices are an example of mass-transducing sensors. However, some acoustic wave sensors, such as polymer-coated surface acoustic wave (SAW) devices give responses resulting from both mass-loading and decreases in modulus. The latter effect can be modeled as a volume effect. In this paper we derive solutions for obtaining descriptor values from arrays of mass-plus-volume-transducing sensors. Simulations were performed to investigate the effectiveness of these solutions and to compare them with solutions for purely mass-transducing sensor arrays. It is concluded that this new method of processing sensor array data can be applied to SAW sensor arrays even when the modulus changes contribute to the responses. The simulations show that good estimations of vapor descriptors can be obtained by using a closed form estimation approach that is similar to the closed form solution for purely mass-transducing sensor arrays. Estimations can be improved using a nonlinear least squares optimization method. The results also suggest ways to design SAW arrays to obtain the best results, either by minimizing the volume sensitivity or matching the volume sensitivities in the array.