淡水资源近年来逐渐盐化,极大地影响了生态系统和人类健康。因此,有必要检测淡水资源的盐度。然而,传统的检测方法难以快速、准确地检测溶液中盐的种类和浓度。本文利用便携式近红外光谱仪对溶液中的盐进行定性判别和定量预测。这项研究是通过添加10种NaCl盐进行的,KCl,MgCl2、CaCl2、Na2CO3、K2CO3、CaCO3、Na2SO4、K2SO4、MgSO4至2mL去离子水中制备单一盐溶液(0.02%-1.00%)总计100套。发现支持向量机(SVM)模型仅在区分溶液中的盐阴离子类别方面有效。偏最小二乘判别分析(PLS-DA)模型,另一方面,可以有效区分溶液中的盐类别,最优模型预测集和交互验证集的准确率分别为98.86%和99.66%,分别。此外,偏最小二乘回归(PLSR)模型可以准确预测NaCl浓度,KCl,MgCl2、CaCl2、Na2CO3、K2CO3、CaCO3、Na2SO4、K2SO4、MgSO4盐溶液。他们的模型交互验证集的确定系数R2分别为0.99、0.99、0.99、0.97、0.99、0.99、0.98、0.99、0.98和0.98。本研究表明,NIRS能够实现溶液中盐类的快速、准确的定性和定量检测,为水资源的安全利用提供了技术支持。
Freshwater resources have been gradually salinized in recent years, dramatically impacting the ecosystem and human health. Therefore, it is necessary to detect the salinity of freshwater resources. However, traditional detection methods make it difficult to check the type and concentration of salt quickly and accurately in solution. This paper uses a portable near-infrared spectrometer to qualitatively discriminate and quantitatively predict the salt in the solution. The study was carried out by adding ten salts of NaCl, KCl, MgCl2, CaCl2, Na2CO3, K2CO3, CaCO3, Na2SO4, K2SO4, MgSO4 to 2 mL of deionized water to prepare a single salt solution (0.02 %-1.00 %) totaling 100 sets. It was found that the Support vector machine (
SVM) model was only effective in discriminating the class of salt anions in the solution. The Partial least squares-discriminant analysis (PLS-DA) model, on the other hand, can effectively discriminate the classes of salt in solution, and the accuracies of the optimal model prediction set and the interactive validation set are 98.86 % and 99.66 %, respectively. Furthermore, the Partial least squares regression (PLSR) models can accurately predict the concentration of NaCl, KCl, MgCl2, CaCl2, Na2CO3, K2CO3, CaCO3, Na2SO4, K2SO4, MgSO4 salt solutions. The coefficients of determination R2 of their model interactive validation sets were 0.99, 0.99, 0.99, 0.97, 0.99, 0.99, 0.98, 0.99, 0.98, and 0.98, respectively. This study shows that NIRS can achieve rapid and accurate qualitative and quantitative detection of salts in solution, which provides technical support for the utilization of safe water resources.