Partial Least Squares, Experimental Design, and Near-Infrared Spectrophotometry for the Remote Quantification of Nitric Acid Concentration and Temperature.

ABSTRACT: Near-infrared spectrophotometry and partial least squares regression (PLSR) were evaluated to create a pleasantly simple yet effective approach for measuring HNO₃ concentration with varying temperature levels. A training set, which covered HNO₃ concentrations (0.1-8 M) and temperature (10-40 °C), was selected using a D-optimal design to minimize the number of samples required in the calibration set for PLSR analysis. The top D-optimal-selected PLSR models had root mean squared error of prediction values of 1.4% for HNO₃ and 4.0% for temperature. The PLSR models built from spectra collected on static samples were validated against flow tests including HNO₃ concentration and temperature gradients to test abnormal conditions (e.g., bubbles) and the

SUBMITTER: Sadergaski LR 

PROVIDER: S-EPMC10096128 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature