Molecular modeling of polymer-clay nanocomposite precursors: Lysine in montmorillonite interlayers

The layered structure of clays with interlayer cations leads to unique chemical and mechanical properties, which have been capitalized on in the field of polymer/layered silicate nanocomposites. Hydrophilic silica surfaces can become organophilic with the inclusion of alkylammonium cations, which improve the wetting characteristics of the polymer matrix. In fact, the molecular level interactions of amino acids, either natural or non-natural, with clay surfaces are at the heart of fields of study as diverse as nanocomposites fabrication, drug delivery, bio-remediation of soils and catalysis of biological polymers, to name a few. The ubiquity of these systems and the potential uses to which they could be put suggests the necessity of a deeper understanding of the interplay of bonds, conformations, and configurations between the molecules and the hosts. The interactions of the amino acid lysine with sodium montmorillonite were studied using theoretical molecular modeling methods. The interlayer spacing of montmorillonite was increased by incorporating water molecules and allowing the system to evolve with molecular mechanics. Care was taken to retain the sodium cations in the interlayer. The initial amino acid conformation was obtained surrounding the molecule with numerous discrete water molecules and minimizing the system at the semi empirical level. The optimized amino acid was then placed in the interlayer space in a series of initial positions. Molecular mechanics calculations were performed and the final positions were analyzed. The results tended to indicate the preponderance of configurations which included surface-sodium-amino acid complexes with a variety of spatial arrangements. These results were compared with molecular dynamics calculations of similar systems from the literature.     

蒙脱土K10-ZnCl2催化下研磨法合成二吲哚甲烷衍生物

蒙脱土K10固载_^ZnCl2是一个有效的环境友好催化剂. 在蒙脱土K10-ZnCl2催化下, 将吲哚与芳香醛混合在研钵中研磨2～8 min, 可得到收率为66%～97%的二吲哚甲烷衍生物. 该方法具有操作简便、反应条件温和、反应时间缩短、 对环境友好等优点.     

Influence of Fe‐MMT on the fire retarding behavior and mechanical property of (ethylene‐vinyl acetate copolymer/magnesium hydroxide) composite

In this work, Fe‐montmorillonite (Fe‐MMT) is synthesized and used as a synergistic agent in ethylene vinyl acetate/magnesium hydroxide (EVA/MH) flame retardant formulations. The synergistic effect of Fe‐MMT with magnesium hydroxide (MH) as the halogen‐free flame retardant for ethylene vinyl acetate (EVA) is studied by thermogravimetric analysis (TGA), limiting the oxygen index (LOI), UL‐94, and cone calorimetry test. Compared with that of Na‐MMT, it indicates that the synergistic effects of Fe‐MMT enhance the LOI value of EVA/MH polymer and improve the thermal stability and reduce the heat release rate (HRR). The structure and morphology of nanocomposites are studied by X‐ray diffraction (XRD) and transmission electron microscopy (TEM). The mechanical properties of the EVA composites have also been studied here, indicating that the use of Fe‐MMT reduces the amount of inorganic fillers. MH hence enhances the mechanical properties of the EVA composite while keeping the UL‐94 V‐0 rating. Copyright © 2008 John Wiley & Sons, Ltd.     

Fe3+‐Montmorillonite: An Efficient Solid Catalyst for One‐Pot Synthesis of Decahydroacridine Derivatives

Fe³⁺‐montmorillonite was used as a solid acidic catalyst for the synthesis of decahydroacridine derivatives through the condensation of aromatic aldehydes, dimedone and aniline in ethanol. The influence of reaction time, reaction temperature, and the amount of catalyst were studied. All the compounds were characterized by IR, Mp, ¹H NMR and ¹³C NMR analysis.     

Bucky Papers of Poly(Methyl Methacrylate-co-Methacrylic acid)/Polyamide 6 and Graphene Oxide-Montmorillonite

Novel poly(methyl methacrylate-co-methacrylic acid) (PMMAMA) and polyamide 6 (PA-6) blend was reinforced with graphene oxide (GO) and montmorillonite-modified GO (GO-MMT). In this way, two series of composites were prepared with varying GO and GO-MMT content. PA-6 was in situ polymerized and the effect of filler addition on molecular weight was studied using GPC. In the case of GO-MMT system, the lowering in molecular weight was more pronounced (M_n ～ 15 × 10³ gmol^?1). The thermal stability of PMMAMA/PA-6/GO-MMT 0.5–5 system was found higher than PMMAMA/PA-6/GO 0.5–5. PHHR of PMMAMA/PA-6/GO-MMT was decreased from 317 to 214 kW/m² with 0.5–5 wt% loading.     

Effect of Morphology and Composition of Organic Montmorillonite on the Structure and Properties of Poly(Butylene Terephthalate) Nanocomposites

The morphology and composition of organic montmorillonites are critical for their dispersion in polymer matrixes. In the current study, the pristine montmorillonite (MMT) was first surface modified with silane and then intercalated using two kinds of intercalating agents in supercritical carbon dioxide (scCO₂). The obtained OMMTs with tunable morphology and composition, together with pristine MMT and commercial MMT, were introduced into poly(butylene terephthalate) (PBT) to investigate the MMTs dispersion in the PBT matrix and the final properties of the PBT/MMT nanocomposites. The structure of the different MMTs and their dispersion in the PBT matrix were characterized by SEM and TEM, respectively. The crystallization behavior, storage moduli and loss factors of the PBT/MMT nanocomposites were also investigated.     

Interaction of Montmorillonite with Maltol

The sorption of maltol (3-hydroxy-2-methyl-4-pyrone) by Fe-montmorillonite from aqueous solutions is pH dependent. IR and Mössbauer spectroscopy indicate bonding of maltol oxygen ligands to the interlayer Fe(III). Simultaneously maltol releases part of the Fe(III) into the solution. The interaction of the Fe-maltolato complex with Na-montmorillonite occurs by ion exchange.     

Physical-Mechanical Behavior and Water-Barrier Properties of Biopolymers-Clay Nanocomposites

The preparation and characterization of biodegradable films based on starch-PVA-nanoclay by solvent casting are reported in this study. The films were prepared with a relation of 3:2 of starch:PVA and nanoclay (0.5, 1.0, and 1.5% w/v), and glycerol as plasticizer. The nanoclays before being incorporated in the filmogenic solution of starch-PVA were dispersed in two ways: by magnetic stirring and by sonication. The SEM results suggest that the sonication of nanoclay is necessary to reach a good dispersion along the polymeric matrix. FTIR results of films with 1.0 and 1.5% w/v of sonicated nanoclay suggest a strong interaction of hydrogen bond with the polymeric matrix of starch-PVA. However, the properties of WVP, tensile strength, percentage of elongation at break, and Young’s modulus improved to the film with sonicated nanoclay at 0.5% w/v, while in films with 1.0 and 1.5% w/w these properties were even worse than in film without nanoclay. Nanoclay concentrations higher than 1.0 w/v saturate the polymer matrix, affecting the physicochemical properties. Accordingly, the successful incorporation of nanoclays at 0.5% w/v into the matrix starch-PVA suggests that this film is a good candidate for use as biodegradable packaging.     

Polyethylene/Clay Nanocomposite by In‐Situ Exfoliation of Montmorillonite During Ziegler‐Natta Polymerization of Ethylene

Complete exfoliation of montmorillonite during Ti‐based Ziegler‐Natta polymerization of ethylene has been successfully carried out by using montmorillonite (MMT‐OH) modified with intercalation agents containing hydroxyl groups. Hydroxyl groups in intercalation agents offer facile reactive sites for anchoring catalysts in between silicate layers. Comparison of exfoliation characteristics between MMT‐OH and non‐intercalated montmorillonite showed that the feasibility of exfoliation during ethylene polymerization was highly dependent on the catalyst fixation method.     

微波消解/ICP-MS法检测蒙脱石散中五种金属元素残留的方法学研究

药物中金属的残留危害着人类的身体健康,因此对药物中的残留金属含量进行检测已成为一项重要的检测项目。本文基于《中华人民共和国药典》(2015年版)方法,测定蒙脱石散中的5 种金属元素（As、Cd、Cu、Pb 和 Mg）,优化了微波消解仪和四极杆电感耦合等离子体质谱仪的最佳工作参数。通过优化测定方法,检出限为As 0.05 μg/L、Cd 0.1 μg/L、Cu和Pb 1 μg/L、Mg 100 μg/L;方法定量限为As 0.02 μg/g、Cd 0.03 μg/g、Cu和Pb 0.33μg/g、Mg 33.33 μg/g;重复性和稳定性的RSD均小于5%;加标回收率为As和Cd 70%~125%、 Cu 75%~120%、Mg 92%~105%、Pb 80%~115%。使用上述方法对国内外8个批次不同品牌的蒙脱石散进行方法验证,评估结果表明,该方法操作简单,结果准确可靠,适用于蒙脱石散样品中As、Cd、Cu、Pb和Mg的测定,可为蒙脱石散的质量评价和服用安全性提供理论依据和技术支持。