首页> 外文期刊>Talanta: The International Journal of Pure and Applied Analytical Chemistry >Determination of biodiesel content in biodiesel/diesel blends using NIR and visible spectroscopy with variable selection
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Determination of biodiesel content in biodiesel/diesel blends using NIR and visible spectroscopy with variable selection

机译:使用近红外光谱和可变选择的可见光谱法测定生物柴油/柴油混合物中生物柴油的含量

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摘要

This work is concerned of evaluate the use of visible and near-infrared (NIR) range, separately and combined, to determine the biodiesel content in biodiesel/diesel blends using Multiple Linear Regression (MLR) and variable selection by Successive Projections Algorithm (SPA). Full spectrum models employing Partial Least Squares (PLS) and variables selection by Stepwise (SW) regression coupled with Multiple Linear Regression (MLR) and PLS models also with variable selection by Jack-Knife (Jk) were compared the proposed methodology. Several preprocessing were evaluated, being chosen derivative Savitzky-Golay with second-order polynomial and 17-point window for NIR and visible-NIR range, with offset correction. A total of 100 blends with biodiesel content between 5 and 50% (v/v) prepared starting from ten sample of biodiesel. In the NIR and visible region the best model was the SPA-MLR using only two and eight wavelengths with RMSEP of 0.6439% (v/v) and 0.5741 respectively, while in the visible-NIR region the best model was the SW-MLR using five wavelengths and RMSEP of 0.9533% (v/v). Results indicate that both spectral ranges evaluated showed potential for developing a rapid and nondestructive method to quantify biodiesel in blends with mineral diesel. Finally, one can still mention that the improvement in terms of prediction error obtained with the procedure for variables selection was significant.
机译:这项工作涉及评估可见光和近红外(NIR)范围的使用,分别和组合使用多重线性回归(MLR)和通过连续投影算法(SPA)进行变量选择来确定生物柴油/柴油混合物中的生物柴油含量。 。比较了采用偏最小二乘(PLS)和逐步选择变量(SW)以及多线性回归(MLR)和PLS模型以及杰克刀(Jk)进行变量选择的全光谱模型。对几种预处理进行了评估,选择了具有二阶多项式和17点窗口的导数Savitzky-Golay,用于NIR和可见NIR范围,并进行了偏移校正。从十个生物柴油样品开始,共制备了100种生物柴油含量在5%至50%(v / v)之间的混合物。在NIR和可见光区域,最佳模型是SPA-MLR,仅使用两个和八个波长,RMSEP分别为0.6439%(v / v)和0.5741,而在可见光-NIR区域,最佳模型是使用SW-MLR,使用5个波长,RMSEP为0.9533%(v / v)。结果表明,所评估的两个光谱范围均显示出开发一种快速,无损方法定量与矿物柴油混合的生物柴油的潜力。最后,仍然可以提及的是,通过变量选择过程获得的预测误差方面的改进是显着的。

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