Journal
JOURNAL OF MACROMOLECULAR SCIENCE PART A-PURE AND APPLIED CHEMISTRY
Volume 53, Issue 6, Pages 354-361Publisher
TAYLOR & FRANCIS INC
DOI: 10.1080/10601325.2016.1166001
Keywords
Molecular spectroscopies; qualitative; quantitative; compositions; fully biodegradable blends; chemometrics
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Funding
- Special-funded Program on National Key Scientific Instruments and Equipment Development of China [2012YQ230043]
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In this work, mid-infrared (MIR), Raman and near-infrared (NIR) spectroscopies were evaluated and compared for characterization and determination of the compositions in poly(lactic acid)/poly(propylene carbonate)/poly(butylene adipate-co-terephthalate) (PLA/PPC/PBAT) blends via chemometrics. Qualitative analysis of MIR, Raman, and NIR spectra of the three compositions was performed. Partial least squares (PLS) models were developed based on each spectroscopy for quantitative determination of the concentrations. The data suggested that MIR and Raman have an advantage over NIR in terms of qualitative recognition of the three compositions. The data also showed that Raman and NIR succeeded in determining the concentrations, while the concentration determined via MIR was inaccurate. Hence, Raman is the optimal analytical tool for qualitative characterization and quantitative determination of the compositions in fully biodegradable PLA/PPC/PBAT blends. The characteristic bands in the Raman spectra clearly identify PLA, PPC, and PBAT to be 392 cm(-1) (delta CCO), 948 cm(-1) (v C-O-C) and 1600 cm(-1) (n C=C in benzene ring), respectively. The optimal calibration models based on Raman for PLA, PPC, and PBAT exhibited root mean square error of prediction (RMSEP) values of 3.140%, 3.576%, and 2.538%, respectively.
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