K₄[Fe(CN)₆] and benzenedial isomers: catechol, resorcinol and hydroquinone, were studied by voltoabsortometry, absorption spectroscopy versus potential sweep, to generate second order data sets. Linear sweep voltammetry was used for K₄[Fe(CN)₆] and differential pulse voltammetry for benzenediol isomers. Quantitative models were constructed using the PARAFAC algorithm in samples of tap water with the addition of catechol, resorcinol and hydroquinone and RMSEP of 0.06, 0.07 and 0.03 mmolL⁻¹ were obtained, respectively. For the U-PLS/RBL algorithm, the RMSEP were 0.05, 0.10 and 0.03 mmolL⁻¹, respectively for catechol, resorcinol and hydroquinone. When the data set is derived with respect to the potential, PARAFAC recovers a derived kinetic profile that fits the voltammogram in the model system, K₄[Fe(CN)₆], but presents displacement in the benzenediol system and a break in the trilinearity of resorcinol. The RMSEP obtained for the derived data for PARAFAC were 0.06 and 0.05 mmolL⁻¹ for catechol and hydroquinone, and 0.07, 0.04 and 0.07 mmolL⁻¹ for U-PLS/BRL, for catechol, resorcinol and hydroquinone, respectively. Degenerate solutions were observed for PARAFAC models and confirmed by MCR-ALS with soft modeling closure constraint. It is observed that degenerate solutions should be expected in higher-order quantitative applications involving spectroelectrochemistry data. Although degenerate solutions are not a pure component solution, they do not affect quantitative models.

K ₄ [Fe（CN）₆ ]和苯二酚异构体：儿茶酚，间苯二酚和对苯二酚，通过伏安法，吸收光谱与电势扫描法进行了研究，以生成二阶数据集。线性扫描伏安法用于K ₄ [Fe（CN）₆ ]，差示脉冲伏安法用于苯二醇异构体。使用PARAFAC算法在自来水中添加儿茶酚，间苯二酚和对苯二酚的样品中建立定量模型，分别得到RMSEP为0.06、0.07和0.03 mmolL ^-1。对于U-PLS / RBL算法，RMSEP为0.05、0.10和0.03 mmolL ^-1分别用于邻苯二酚，间苯二酚和对苯二酚。当针对电位导出数据集时，PARAFAC会恢复导出的动力学曲线，该动力学曲线适合模型系统K ₄ [Fe（CN）₆ ]中的伏安图，但会表示苯二醇系统中的位移和三线性度的中断间苯二酚。从PARAFAC的导出数据获得的RMSEP对儿茶酚和对苯二酚分别为0.06和0.05 mmolL ^-1，以及0.07、0.04和0.07 mmolL ^-1用于U-PLS / BRL，分别用于邻苯二酚，间苯二酚和对苯二酚。观察了PARAFAC模型的简并解，并通过具有软模型封闭约束的MCR-ALS进行了确认。可以观察到，在涉及光谱电化学数据的高阶定量应用中，应预期会出现简并溶液。尽管退化的解决方案不是纯组件解决方案，但它们不会影响定量模型。