| Titre : | Estimating crystal growth rates using in situ ATR-FTIR and raman spectroscopy in a calibration-free manner (2010) |
| Auteurs : | Jeroen Cornel, Auteur ; Mazzotti, Marco, Auteur |
| Type de document : | Article : texte imprimé |
| Dans : | Industrial & engineering chemistry research (Vol. 48 N° 23, Décembre 2009) |
| Article en page(s) : | pp. 10740–10745 |
| Note générale : | Industrial chemistry |
| Langues : | Anglais |
| Tags : | Estimating--Crystal--Growth--Rates--Using--situ ATR-FTIR--Raman--Spectroscopy-- Calibration-Free Manner |
| Résumé : | Seeded batch desupersaturation experiments of paracetamol in water were monitored using in situ ATR-FTIR and in situ Raman spectroscopy. On the basis of the linear relationship between the measured signal and the concentrations of the involved components, in situ ATR-FTIR and Raman spectroscopy could be used quantitatively in a calibration-free manner to estimate the crystal growth rate of paracetamol. Using a population balance model and a nonlinear least-squares optimization routine, it was shown that by fitting the measured time-resolved ATR-FTIR spectra directly and by fitting the desupersaturation profiles obtained from these spectra combined with a previously developed calibration model, essentially the same growth rate parameters can be estimated. Very similar growth rate parameters could be obtained by fitting the measured time-resolved Raman spectra using the same population balance model. These results show that crystal growth rates can be estimated in a calibration-free manner using both in situ spectroscopic techniques, thereby avoiding lengthy calibration procedures. |
| ISSN : | 0888-5885 |
| En ligne : | http://pubs.acs.org/doi/abs/10.1021/ie9008138 |
