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利用近红外倍频区测定生物柴油含量及植物油对柴油/生物柴油混合物的掺假。

Using near-infrared overtone regions to determine biodiesel content and adulteration of diesel/biodiesel blends with vegetable oils.

机构信息

Departamento de Química, Universidade Federal da Paraíba, João Pessoa, Brazil.

出版信息

Anal Chim Acta. 2012 Feb 24;716:101-7. doi: 10.1016/j.aca.2011.12.027. Epub 2011 Dec 21.

Abstract

This work evaluates the use of near-infrared (NIR) overtone regions to determine biodiesel content, as well potential adulteration with vegetable oil, in diesel/biodiesel blends. For this purpose, NIR spectra (12,000-6300 cm(-1)) were obtained using three different optical path lengths: 10 mm, 20 mm and 50 mm. Two strategies of regression with variable selection were evaluated: partial least squares (PLS) with significant regression coefficients selected by Jack-Knife algorithm (PLS/JK) and multiple linear regression (MLR) with wavenumber selection by successive projections algorithm (MLR/SPA). For comparison, the results obtained by using PLS full-spectrum models are also presented. In addition, the performance of models using NIR (1.0 mm optical path length, 9000-4000 cm(-1)) and MIR (UATR - universal attenuated total reflectance, 4000-650 cm(-1)) spectral regions was also investigated. The results demonstrated the potential of overtone regions with MLR/SPA regression strategy to determine biodiesel content in diesel/biodiesel blends, considering the possible presence of raw oil as a contaminant. This strategy is simple, fast and uses a fewer number of spectral variables. Considering this, the overtone regions can be useful to develop low cost instruments for quality control of diesel/biodiesel blends, considering the lower cost of optical components for this spectral region.

摘要

本工作评估了利用近红外(NIR)倍频区来确定柴油/生物柴油混合物中生物柴油的含量,以及可能存在的植物油掺假。为此,使用三种不同的光程长度(10mm、20mm 和 50mm)获得了 NIR 光谱(12000-6300cm(-1))。评估了两种具有变量选择的回归策略:通过 Jack-Knife 算法(PLS/JK)选择显著回归系数的偏最小二乘法(PLS)和通过连续投影算法(MLR/SPA)选择波数的多元线性回归(MLR)。为了比较,还呈现了使用 PLS 全谱模型获得的结果。此外,还研究了使用 NIR(1.0mm 光程长度,9000-4000cm(-1)) 和 MIR(UATR-通用衰减全反射,4000-650cm(-1))光谱区域的模型的性能。结果表明,在考虑可能存在原始油作为污染物的情况下,倍频区结合 MLR/SPA 回归策略具有确定柴油/生物柴油混合物中生物柴油含量的潜力。该策略简单、快速,使用较少的光谱变量。考虑到这一点,倍频区可用于开发用于柴油/生物柴油混合物质量控制的低成本仪器,因为该光谱区域的光学元件成本较低。

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