Yahoum Madiha Melha, Toumi Selma, Hentabli Salma, Tahraoui Hichem, Lefnaoui Sonia, Hadjsadok Abdelkader, Amrane Abdeltif, Kebir Mohammed, Moula Nassim, Assadi Amin Aymen, Zhang Jie, Mouni Lotfi
Materials and Environment Laboratory (LME), University Yahia Fares of Medea, Medea 26000, Algeria.
Faculty of Sciences, Nouveau Pole Urbain, University Yahia Fares of Medea, Medea 26000, Algeria.
Materials (Basel). 2023 Mar 23;16(7):2565. doi: 10.3390/ma16072565.
The main objective of this study was to create a mathematical tool that could be used with experimental data to predict the rheological flow behavior of functionalized xanthan gum according to the types of chemical groups grafted onto its backbone. Different rheological and physicochemical analyses were applied to assess six derivatives synthesized via the etherification of xanthan gum by hydrophobic benzylation with benzyl chloride and carboxymethylation with monochloroacetic acid at three (regent/polymer) ratios R equal to 2.4 and 6. Results from the FTIR study verified that xanthan gum had been modified. The degree of substitution (DS) values varying between 0.2 and 2.9 for carboxymethylxanthan gum derivatives were found to be higher than that of hydrophobically modified benzyl xanthan gum for which the DS ranged from 0.5 to 1. The molecular weights of all the derivatives were found to be less than that of xanthan gum for the two types of derivatives, decreasing further as the degree of substitution (DS) increased. However, the benzyl xanthan gum derivatives presented higher molecular weights varying between 1,373,146 (g/mol) and 1,262,227 (g/mol) than carboxymethylxanthan gum derivatives (1,326,722-1,015,544) (g/mol). A shear-thinning behavior was observed in the derivatives, and the derivatives' viscosity was found to decrease with increasing DS. The second objective of this research was to create an ANN model to predict one of the rheological properties (the apparent viscosity). The significance of the ANN model (R = 0.99998 and MSE = 5.95 × 10) was validated by comparing experimental results with the predicted ones. The results showed that the model was an efficient tool for predicting rheological flow behavior.
本研究的主要目的是创建一种数学工具，该工具可与实验数据一起使用，根据接枝到其主链上的化学基团类型来预测功能化黄原胶的流变流动行为。应用了不同的流变学和物理化学分析方法，以评估通过黄原胶与苄基氯进行疏水苄基化以及与一氯乙酸进行羧甲基化反应，在三种（试剂/聚合物）比例R等于2、4和6的条件下合成的六种衍生物。傅里叶变换红外光谱（FTIR）研究结果证实黄原胶已被改性。发现羧甲基黄原胶衍生物的取代度（DS）值在0.2至2.9之间，高于疏水改性苄基黄原胶的取代度，后者的DS范围为0.5至1。对于这两种类型的衍生物，发现所有衍生物的分子量均小于黄原胶，并且随着取代度（DS）的增加进一步降低。然而，苄基黄原胶衍生物的分子量（在1,373,146（g/mol）和1,262,227（g/mol）之间）高于羧甲基黄原胶衍生物（1,326,722 - 1,015,544）（g/mol）。在衍生物中观察到剪切变稀行为，并且发现衍生物的粘度随DS的增加而降低。本研究的第二个目的是创建一个人工神经网络（ANN）模型来预测流变学性质之一（表观粘度）。通过将实验结果与预测结果进行比较，验证了ANN模型的显著性（R = 0.99998，均方误差（MSE）= 5.95×10）。结果表明，该模型是预测流变流动行为的有效工具。
