Combined experimental and theoretical investigation of interactions between kaolinite inner surface and intercalated dimethyl sulfoxide

Zhang, Shuai; Liu, Qinfu; Cheng, Hongfei; Zeng, Fangui

doi:10.1016/j.apsusc.2015.01.019

Cited by 55 publications

(37 citation statements)

References 52 publications

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“…The weight loss associated with dehydroxylation of intercalated kaolinite is reasonably consistent with the measurement of original kaolinite (~13%). 29,48 Overall, the calculated intercalation ratio indicates that urea-intercalated kaolinite occupies ~93% of the prepared samples, and 14% of mass loss is attributed to the thermal decomposition of the intercalated urea (Figure 2). Therefore, the mass percentage of intercalated urea relative to kaolinite–urea intercalation complexes is calculated to be ~15% (14% ÷ 93%).…”

Section: Resultsmentioning

confidence: 97%

Mechanism Associated with Kaolinite Intercalation with Urea: Combination of Infrared Spectroscopy and Molecular Dynamics Simulation Studies

et al. 2016

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Intercalation of urea in kaolinite was investigated using infrared spectroscopy and molecular dynamics simulation. Infrared spectroscopic results indicated the formation of hydrogen bonds between urea and siloxane/alumina surfaces of kaolinite. The carbonyl group (–C=O) of urea acted as H-acceptors for the hydroxyl groups on alumina surfaces. The amine group (–NH2) of urea functioned as H-donors interacting with basal oxygens on siloxane surfaces and/or the oxygens of hydroxyl groups on alumina surfaces. The H-bonds of urea formed with kaolinite surfaces calculated directly from molecular dynamics simulation was consistent with the infrared spectroscopic results. Additionally, MD simulations further provided insight into the interaction energies of urea with the kaolinite interlayer environment. The calculated interaction energies of urea molecules with kaolinite alumina and siloxane surfaces suggest that the intercalation of urea within kaolinite interlayers is energetically favorable. The interaction energy of urea with alumina surfaces was greater than that with siloxane surfaces, indicating that the alumina surface plays a primary role in the intercalation of kaolinite by urea. The siloxane surfaces function as H-acceptors to facilitate the intercalation of urea. The present study offers a direct view of the specific driving force involved in urea intercalation in kaolinite. The results obtained can help develop appropriate protocol to intercalate and delaminate clay layers for clay-based applications and products.

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Section: Resultsmentioning

confidence: 97%

Mechanism Associated with Kaolinite Intercalation with Urea: Combination of Infrared Spectroscopy and Molecular Dynamics Simulation Studies

et al. 2016

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“…Intercalation of the nanoclay via the immobilization of various molecules in the interlayer spaces causes to reduce the strength of the forces between these layers, thus, resulting in expansion of the basal spacing of the nanoparticles. The intercalation process alters the chemical structure of the nanoclay surface by changing surface chemistry and the morphological structure of the nanoclay by extending the basal space [7,8]. The intercalated nanoclays pave the way for the formation of novel polymer nanocomposites with the tunable changes on surface of nanoclays [9].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Characterization and Biological Properties of Intercalated Kaolinite Nanoclays: Intercalation and Biocompatibility

Yılmaz

Irmak

Turhan

et al. 2019

Advances in Materials Science

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The aims of the present study were to synthesize the intercalated kaolinite samples with dimethylsulfoxide (DMSO), glutamic acid (GA), succinimide (SIM), cetylpyridiniumchloride (CPC), and hexadecyltrimethylammoniumchloride (HDTMA+); to characterize by X-ray diffraction (XRD), Brunauer-Emmett-Teller (BET), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR), and to determine the hemocompatibility and the cytotoxic effects of the intercalated kaolinite nanoclays on human lymphocytes. It was found that the intercalation with DMSO did not cause any decrease in cell viability until its maximum concentration (500 µg/mL), however, the intercalation with SIM, CPC, and (HDTMA+) causd important decreases in lymphocyte viabilities. It was determined that no significant decrease was observed in protein content of the lymphocyte cells exposed to the kaolinite nanoclays except the ones intercalated with SIM. Furthermore, the pristine kaolinite nanoclays which were intercalated with DMSO, GA, and SIM exhibited high hemocompatibility and the nanoclays intercalated with CPC and (HDTMA+) were highly hemocompatibile for the amounts below 125 and 500 µg/mL, respectively. All the results of this work can serve for the human risk assesment of intercalated nanoclays.

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“…In this study, the dependence of the interlayer structure on the chain length has been investigated. Because the XRD patterns of K-D and K-M have been reported in previous literature [34], they are not presented in this paper. Figure 1 shows the XRD patterns of kaolinite/fatty acid intercalation compounds and kaolinite/quaternary ammonium salt intercalation compounds, respectively.…”

Section: Xrd Analysismentioning

confidence: 99%

Effect of Intercalation Agents on Morphology of Exfoliated Kaolinite

et al. 2017

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Kaolinite intercalation compounds were prepared by intercalating fatty acids and quaternary ammonium salts into kaolinite layers, using methanol-grafted kaolinite as the precursor. Meanwhile, massive lamellas were exfoliated during the intercalation process. The interlayer structure, chemical bonding and morphology of kaolinite before and after intercalation were characterized in detail. As the alkyl chain length increases, the basal spacing of kaolinite increases gradually. The morphology analysis indicated that the ionic type of intercalation agent has a more important influence on the morphology change of kaolinite than their alkyl chain length. The initial kaolinite layers were mostly transformed into nanoscrolls in the product intercalated with stearyl trimethyl ammonium chloride (STAC). The present study demonstrates the arrangement model of intercalated molecules between kaolinite layers using X-ray diffraction (XRD) in conjunction with Fourier transform infrared (FTIR) and stereochemical calculation. On the basis of a probed arrangement model, the mechanism of effect of the alkyl chain length and ionic type of intercalation agent on the morphology of exfoliated kaolinite is suggested.

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Combined experimental and theoretical investigation of interactions between kaolinite inner surface and intercalated dimethyl sulfoxide

Cited by 55 publications

References 52 publications

Mechanism Associated with Kaolinite Intercalation with Urea: Combination of Infrared Spectroscopy and Molecular Dynamics Simulation Studies

Mechanism Associated with Kaolinite Intercalation with Urea: Combination of Infrared Spectroscopy and Molecular Dynamics Simulation Studies

Synthesis, Characterization and Biological Properties of Intercalated Kaolinite Nanoclays: Intercalation and Biocompatibility

Effect of Intercalation Agents on Morphology of Exfoliated Kaolinite

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