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Synthesis Characterization of a New Polyacrylic Acid Superabsorbent Some Heavy Metal Ion Sorption the Adsorption Isotherms and Quantum Chemical Investigation

机译:合成表征新的聚丙烯酸超吸收剂一些重金属离子吸附吸附等温线和量子化学研究

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摘要

Poly(acrylic acid/Kryptofix 23-Dimethacrylate) superabsorbent polymer [P (AA/Kry23-DM) SAP] was synthesized by solution polymerization to remove Co, Ni, Cu, Cd, Mn, Zn, Pb, Cr, and Fe ions in water and improve the quality of the water. Kry23-DM cross-linker (1,4,7,13,16-Pentaoxa-10,19 diazo cyclohexene icosane di methacrylate) was synthesized using Kry23 and methacryloyl chloride. The characterization of the molecules was done by FTIR, TGA, DSC, and SEM techniques. The effects of parameters such as pH, concentration, and the metal ion interaction on the heavy metal ions uptaking of SAP was investigated. It was observed that P (AA/Kry23-DM) SAP has maximum water absorption, and the absorption increases with the pH increase. Adsorption rates and sorption capacity, desorption ratios, competitive sorption (qcs), and distribution coefficient (log D) of P(AA/Kry23-DM) SAP were studied as a function of time and pH with the heavy metal ion concentration. Langmuir and Freundlich isotherms of the P (AA/Kry23-DM) SAP were investigated to verify the metal uptake. Molecular mechanic (MM2), Assisted Model Building with Energy Refinement (AMBER), and optimized potentials for liquid simulations (OPLS) methods. were used in quantum chemical calculations for the conformational analysis of the cross-linker and the SAP. ΔH0f calculations of the cross-linker and the superabsorbent were made using Austin Model 1(AM1) method.
机译:聚(丙烯酸/氪/氪23-二甲基丙烯酸酯)超吸收性聚合物[P(AA / Kry23-DM)SAP]通过溶液聚合合成,以除去CO,Ni,Cu,Cd,Mn,Zn,Pb,Cr和Fe离子水,提高水的质量。利用Kry23和甲基丙烯酰氯合成Kry23-DM交联剂(1,4,7,13,16-五戊酮丙烷二甲烷二甲基丙烯酸酯)。分子表征通过FTIR,TGA,DSC和SEM技术进行。研究了参数如pH,浓度和金属离子相互作用对SAP的重质金属离子上的效果的影响。观察到P(AA / Kry23-DM)SAP具有最大吸水性,并且吸收随着pH增加而增加。研究了P(AA / Kry23-DM)SAP的吸附速率和吸附能力,解吸比,竞争吸附(QCS)和分布系数(LOG D),作为时间和pH重度金属离子浓度的时间和pH。研究了P(AA / Kry23-DM)SAP的Langmuir和Freundlich等温线以验证金属摄取。分子机械机械(MM2),辅助模型建筑与能量细化(琥珀色),以及液体模拟(OPLS)方法的优化电位。用于量子化学计算,用于对交联剂和SAP的构象分析。使用奥斯汀模型1(AM1)方法制备交联剂和超吸收剂的ΔH0F计算。

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