Flores-Gómez Jean, Romero-Arellano Victor Hugo, Vazquez-Lepe Milton, Martínez-Gómez Álvaro de Jesús, Morales-Rivera Juan
Departamento de Agua y Energía, CUTonalá-Universidad de Guadalajara, Av. Nuevo Periférico No. 555, Tonalá 45425, Jalisco, Mexico.
Departamento de Ciencias Básicas y Aplicadas, CUTonalá-Universidad de Guadalajara, Av. Nuevo Periférico No. 555, Tonalá 45425, Jalisco, Mexico.
Gels. 2023 Mar 4;9(3):197. doi: 10.3390/gels9030197.
In this paper, a model for Cr (VI) removal and optimization was made using a novel aerogel material, chitosan-resole CS/R aerogel, where a freeze-drying and final thermal treatment was employed to fabricate the aerogel. This processing ensures a network structure and stability for the CS, despite the non-uniform ice growth promoted by this process. Morphological analysis indicated a successful aerogel elaboration process., FTIR spectroscopy corroborated the aerogel precursor's identity and ascertained chemical bonding after adsorption. Owing to the variability of formulations, the adsorption capacity was modeled and optimized using computational techniques. The response surface methodology (RSM), based on the Box-Behnken design using three levels, was used to calculate the best control parameters for the CS/R aerogel: the concentration at %vol (50-90%), the initial concentration of Cr (VI) (25-100 mg/L), and adsorption time (0.3-4 h). Analysis of variance (ANOVA) and 3D graphs reveal that the CS/R aerogel concentration and adsorption time are the main parameters that influence the initial concentration of CS/R aerogel metal-ion uptake. The developed model successfully describes the process with a correlation coefficient of R = 0.96 for the RSM. The model obtained was optimized to find the best material design proposal for Cr (VI) removal. Numerical optimization was used and showed superior Cr (VI) removal (94.4%) under conditions of a CS/R aerogel concentration of 87/13 %vol, with an initial concentration of Cr (VI) of 31 mg/L, and an adsorption time of 3.02 h. These results suggest that the proposed computational model can obtain an effective and viable model for CS material processing and for optimization of the uptake of this metal.
在本文中，使用一种新型气凝胶材料——壳聚糖甲阶酚醛树脂CS/R气凝胶，建立了六价铬去除及优化模型，采用冷冻干燥和最终热处理制备气凝胶。尽管此过程会促进冰的不均匀生长，但该工艺确保了CS的网络结构和稳定性。形态分析表明气凝胶制备过程成功。傅里叶变换红外光谱（FTIR）证实了气凝胶前体的特性，并确定了吸附后的化学键合。由于配方的可变性，使用计算技术对吸附容量进行了建模和优化。基于三水平Box-Behnken设计的响应面法（RSM）用于计算CS/R气凝胶的最佳控制参数：体积百分比浓度（50-90%）、六价铬初始浓度（25-100mg/L）和吸附时间（0.3-4h）。方差分析（ANOVA）和三维图显示，CS/R气凝胶浓度和吸附时间是影响CS/R气凝胶金属离子吸收初始浓度的主要参数。所建立的模型成功地描述了该过程，RSM的相关系数R = 0.96。对得到的模型进行优化，以找到去除六价铬的最佳材料设计方案。采用数值优化方法，结果表明，在CS/R气凝胶浓度为87/13 %vol、六价铬初始浓度为31mg/L、吸附时间为3.02h的条件下，六价铬去除率高达94.4%。这些结果表明，所提出的计算模型能够获得一个有效且可行的模型，用于CS材料加工及该金属吸收的优化。
