Madkour Tarek M, Elsayed Rasha E, Azzam Rasha A
Department of Chemistry, School of Science and Engineering, The American University in Cairo, Cairo 11835, Egypt.
Department of Chemistry, Helwan University, Ain-Helwan 11795, Egypt.
Gels. 2024 Nov 22;10(12):756. doi: 10.3390/gels10120756.
Environmentally friendly nanoporous gels are tailor-designed and employed in the adsorption of toxic organic pollutants in wastewater. To ensure the maximum adsorption of the contaminant molecules by the gels, molecular modeling techniques were used to evaluate the binding affinity between the toxic organic contaminants such as methylene blue (MB) and Congo red (CR) and various biopolymers. To generate nanopores in the matrix of the polymeric gels, salt crystals were used as porogen. The pores were then used to accommodate catalytic nickel (Ni) nanoparticles. Under UV irradiation, the nanoparticles demonstrated the effective adsorption and photocatalytic degradation of both the methylene blue and Congo red dyes, achieving removal efficiencies of up to 90% for MB and 80% for CR. The thermodynamic analysis suggested a spontaneous endothermic dissociative adsorption mechanism, which implies the oxidative catalytic degradation of the dyes. The kinetic modeling suggested a pseudo-second-order model, while the model for intra-particle diffusion revealed that Congo red diffuses faster than methylene blue. MB adsorption followed a Langmuir isotherm, while CR adsorption followed a linear isotherm. The results confirm that dye molecules initially undergo physisorption and subsequent dissociative adsorption. The products of the catalytic degradation of methylene blue continue to be absorbed on the surface of the nanoparticles, while those of Congo red switch to preferential desorption.
环境友好型纳米多孔凝胶是经过定制设计的,并用于吸附废水中的有毒有机污染物。为确保凝胶对污染物分子的最大吸附,采用分子建模技术评估亚甲基蓝(MB)和刚果红(CR)等有毒有机污染物与各种生物聚合物之间的结合亲和力。为在聚合物凝胶基质中生成纳米孔,使用盐晶体作为致孔剂。然后利用这些孔来容纳催化镍(Ni)纳米颗粒。在紫外光照射下,纳米颗粒对亚甲基蓝和刚果红染料均表现出有效的吸附和光催化降解作用,MB的去除效率高达90%,CR的去除效率高达80%。热力学分析表明存在自发吸热解离吸附机制,这意味着染料发生氧化催化降解。动力学建模表明为伪二级模型,而颗粒内扩散模型显示刚果红的扩散速度比亚甲基蓝快。MB的吸附遵循朗缪尔等温线,而CR的吸附遵循线性等温线。结果证实染料分子最初经历物理吸附,随后发生解离吸附。亚甲基蓝催化降解的产物继续吸附在纳米颗粒表面,而刚果红的产物则转为优先解吸。