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傅里叶变换红外光谱结合偏最小二乘法用于竹/聚丙烯复合材料主要成分的定量分析

[The Use of FTIR Coupled with Partial Least Square for Quantitative Analysis of the Main Composition of Bamboo/Polypropylene Composites].

作者信息

Lao Wan-li, He Yu-chan, Li Gai-yun, Zhou Qun

出版信息

Guang Pu Xue Yu Guang Pu Fen Xi. 2016 Jan;36(1):55-9.

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 degrees C 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.

摘要

木塑复合材料(WPC)中生物质与塑料的比例对其物理和机械性能以及价格有很大影响。快速准确地评估生物质与塑料的比例对于WPC的进一步发展至关重要。目前,对WPC主要成分的定量分析主要依赖于热分析方法。然而,这些方法存在一些固有缺点,包括耗时、分析误差大且操作复杂,这严重限制了这些技术的应用。因此,在本研究中,傅里叶变换红外(FTIR)光谱结合偏最小二乘法(PLS)被用于快速预测竹/聚丙烯(PP)复合材料中竹子和PP的含量。竹粉在105℃下干燥24小时后用作填料。PP用作基体材料,一些化学试剂用作添加剂。然后通过挤出法制备了42个不同竹子与PP比例的WPC样品。采用KBr压片技术收集了42个WPC样品的FTIR光谱数据。通过PLS-2和全交叉验证建立了竹子和PP含量预测模型。内部交叉验证结果表明,在1800 - 800 cm⁻¹范围内经标准正态变量(SNV)校正的一阶导数光谱产生了最优模型。对于竹子和PP的校准,决定系数(R²)均为0.955。竹子含量的校准标准误差(SEC)为1.872,PP含量的校准标准误差为1.848。对于竹子和PP的验证,R²值均为0.950。交叉验证标准误差(SECV)竹子含量为1.927,PP含量为1.950。生物质和PP检测的性能与偏差比(RPD)均为4.45。外部验证结果表明,生物质和PP含量两者的相对预测偏差均低于±6%。FTIR结合PLS可用于快速准确地测定竹/PP复合材料中竹子和PP的含量。

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