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Application of Mid- and Near-Infrared Spectroscopy for the Control and Chemical Evaluation of Brine Solutions and Traditional Sea Salts

机译:中红外光谱法在卤水溶液和传统海盐控制和化学评估中的应用

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摘要

Mid- and near-infrared spectroscopy methodologies were explored for the analysis of brine solutions and traditional sea salt samples. Brine solutions from different salt pans, corresponding to different stages of sodium chloride crystallisation, werecollected. A total of 61 dried and non-dried traditional sea salts were also analysed. Partial least squares regression with leave-one-out cross-validation strategy was applied for the calibration of inorganic constituents Ca2+, Mg2+ and K+, alkalinity as HCO 3 , SO 4 2, NO 2 and NO 3 and phosphate in brine solutions. Promising results were obtained with the near-infrared (NIR) methodology for brine solutions with coefficients of determination R 2>0.90 for Mg+2, K+, HCO 3 and SO 4 2. Using mid-infrared, the calibration for H2PO 4 was R 2=0.85. In relation to the sea salt samples, the strategy adopted was the re-sampling based cross-validation using different spectral pre-processing treatments. In this case, the calibrations using the two IR methodologies fell bellow acceptable levels for the techniques; however, by comparing the R 2 coefficient, the results were slightly better when using the NIR spectra of dried sea samples. In general, these results open a new possibility for the IR applicationsand also bring an opportunity for continuing with the NIR characterization for dried sea salt samples.
机译:探索了中红外光谱法和近红外光谱法用于盐溶液和传统海盐样品的分析。收集来自不同盐锅的盐水,分别对应于氯化钠结晶的不同阶段。还对总共61种干燥和未干燥的传统海盐进行了分析。偏最小二乘回归留一法交叉验证策略用于校准无机成分Ca2 +,Mg2 +和K +,碱度为HCO 3,SO 4 2,NO 2和NO 3以及盐溶液中的磷酸盐。对于盐溶液,使用近红外(NIR)方法获得的结果令人鼓舞,对于Mg + 2,K +,HCO 3和SO 4 2的测定系数为R 2> 0.90。在中红外下,H2PO 4的校准值为R 2 = 0.85。对于海盐样品,采用的策略是使用不同的光谱预处理方法进行基于重新采样的交叉验证。在这种情况下,使用两种红外方法进行的校准低于该技术可接受的水平。但是,通过比较R 2系数,使用干海样本的NIR光谱时,结果稍好。总的来说,这些结果为红外应用开辟了新的可能性,也为继续干燥海盐样品的近红外表征提供了机会。

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