Temperature Correction of Spectra to Improve Solute Concentration Monitoring by In Situ Ultraviolet and Mid-Infrared Spectrometries toward Isothermal Local Model Performance
Magdalene W. S. Chong, Thomas McGlone, Ching Yee Chai, N.E.B. Briggs, Cameron J. Brown, Francesca Perciballi, Jaclyn Dunn, Andrew J. Parrott, Paul Dallin, John Andrews, Alison Nordon, Alastair J. Florence
Abstract
O (80:20 w/w), which were found to be accurate compared to those obtained using the traditional techniques of transmittance and gravimetric measurement. For both UV and IR spectrometries, solubility values obtained from models with LSS temperature correction were in better agreement with those determined gravimetrically. In this first example of the application of LSS to UV spectra, significant improvement in the predicted solute concentration is achieved with the additional chemometric effort. There is no extra experimental burden associated with the use of LSS if a structured approach is employed to acquire calibration data that account for both temperature and concentration.