The Use of FTIR Coupled with Partial Least Square for Quantitative Analysis of the Main Composition of Bamboo/Polypropylene Composites
LAO Wan-li1, HE Yu-chan1, LI Gai-yun1*, ZHOU Qun2
1. Research Institute of Wood Industry, Chinese Academy of Forestry, Beijing 100091, China 2. Department of Chemistry, Tsinghua University, Beijing 100084, China
Abstract：The biomass to plastic ratio in wood plastic composites (WPCs) greatly affects the physical and mechanical properties and price. Fast and accurate evaluation of the biomass to plastic ratio is important for the further development of WPCs. Quantitative analysis of the WPC main composition currently relies primarily on thermo-analytical methods. However, these methods have some inherent disadvantages, including time-consuming, high analytical errors and sophisticated, which severely limits the applications of these techniques. Therefore, in this study, Fourier Transform Infrared (FTIR) spectroscopy in combination with partial least square (PLS) has been used for rapid prediction of bamboo and polypropylene (PP) content in bamboo/PP composites. The bamboo powders were used as filler after being dried at 105 ℃ for 24 h. PP was used as matrix materials, and some chemical regents were used as additives. Then 42 WPC samples with different ratios of bamboo and PP were prepared by the methods of extrusion. FTIR spectral data of 42 WPC samples were collected by means of KBr pellets technique. The model for bamboo and PP content prediction was developed by PLS-2 and full cross validation. Results of internal cross validation showed that the first derivative spectra in the range of 1 800～800 cm-1 corrected by standard normal variate (SNV) yielded the optimal model. For both bamboo and PP calibration, the coefficients of determination (R2) were 0.955. The standard errors of calibration (SEC) were 1.872 for bamboo content and 1.848 for PP content, respectively. For both bamboo and PP validation, the R2 values were 0.950. The standard errors of cross validation (SECV) were 1.927 for bamboo content and 1.950 for PP content, respectively. And the ratios of performance to deviation (RPD) were 4.45 for both biomass and PP examinations. The results of external validation showed that the relative prediction deviations for both biomass and PP contents were lower than ±6%. FTIR combined with PLS can be used for rapid and accurate determination of bamboo and PP content in bamboo/PP composites.
Key words：FTIR;Partial least square (PLS);Bamboo;Polypropylene (PP)
劳万里1, 何玉婵1, 李改云1*, 周 群2 . 红外光谱结合偏最小二乘法定量分析毛竹/聚丙烯复合材料的主成分 [J]. 光谱学与光谱分析, 2016, 36(01): 55-59.
LAO Wan-li1, HE Yu-chan1, LI Gai-yun1*, ZHOU Qun2 . The Use of FTIR Coupled with Partial Least Square for Quantitative Analysis of the Main Composition of Bamboo/Polypropylene Composites. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2016, 36(01): 55-59.
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