Shiling Yuan

Shandong University, Chi-nan-shih, Shandong Sheng, China

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Publications (68)182.33 Total impact

  • Ying Ma · Hui Chen · Yuanchang Shi · Shiling Yuan
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    ABSTRACT: Mesoporous silica MCM-41 (MS-MCM-41) was synthesized via a hydrothermal treatment using sodium silicate as a silica source extracted from wheat straw ash. The effect of aging temperature to the structure and physical properties of the mesoporous silica was discussed to provide the optimum preparation technique. The more ordered 2D hexagonal structure of mesoporous silica was obtained by applying the hydrothermal treatment procedure. With increasing the hydrothermal aging temperatures from 80 °C to 120 °C, the pore volume and average pore size enlarged accordingly and the BET surface area increased from 724 to 1312 m2/g, respectively.
    No preview · Article · Feb 2016 · Materials Research Bulletin
  • Gang Liu · Heng Zhang · Guokui Liu · Shiling Yuan
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    ABSTRACT: In this paper, the hetero-patterning of organic particles on template-induced surface are systematically studied by a series of kinetic Monte Carlo simulations. The details of anisotropic growth process, the dependence of aggregation morphology on interactions and the effects of geometrical sizes are obtained. The simulated results showed that the size of prepattern plays a crucial role in the hetero-structure growth process. Especially for the deposited morphology, the thickness of organic film is relevant with the prepattern size. In the simulation, the dependence of deposition morphology on the amount of deposited particles is also obtained. The results also showed that the thickness ratio on two type squares even can be completely controlled by the amount of deposited particles. Besides the size of template and the amount of deposited particles, the interactions between different particles also exhibit strong influence on the deposited morphology. Both the weak and strong organic particle-organic particle interactions can reduce the anisotropic growth, while the moderate value can result in the maximum anisotropic growth.
    No preview · Article · Jan 2016 · Colloids and Surfaces A Physicochemical and Engineering Aspects
  • Jinglin Shen · Xia Xin · Teng Liu · Lu Tong · Guiying Xu · Shiling Yuan
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    ABSTRACT: Supermolecular hydrogels were prepared by α-cyclodeatrin (α-CD) and Tyloxapol, which can be considered as an oligomer of the nonionic surfactant polyoxyethylene tert-octylphenyl ether (TX-100) with a polymerization degree below 7. Two carbon materials, graphene oxide (GO) and graphene, were mixed into the α-CD/Tyloxapol hydrogel to adjust the physicochemical properties of hydrogel. In order to get stable graphene dispersion and then mix it with α-CD/Tyloxapol hydrogel, both TX-100 and Tyloxapol were used to disperse graphene for comparision. Interestingly, it can be found that TX-100 could disperse graphene better than Tyloxapol owing to smaller molecular size of TX-100 compared with Tyloxapol. Then, both the α-CD/Tyloxapol/GO and α-CD/Tyloxapol/graphene hydrogels were characterized by transmission electron microscopy (TEM), field emission scanning electron microscopy (FE-SEM), Fourier transform infrared (FT-IR) spectroscopy, small angle X-ray scattering (SAXS), X-ray diffraction (XRD) and rheological measurements. The results revealed that the addition of carbon materials into α-CD/Tyloxapol hydrogel can change their microstructures and the rheological properties. Furthermore, it can be confirmed that a little amount of carbon materials could induce fluorescence quenching sharply which could be a promising candidate for optical sensor.
    No preview · Article · Jan 2016 · Journal of Colloid and Interface Science
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    ABSTRACT: A novel fluorescent vesicles based on inclusion complexation of β-cyclodextrins (β-CD) with Tyloxapol were constructed. For comparison, α-cyclodextrins (α-CD) was also selected to form inclusion complexation with Tyloxapol. The vesicles formed by β-CD/Tyloxapol have been thoroughly characterized using various techniques including phase behavior observation, transmission electron microscopy (TEM), freeze fracture transmission electron microscopy (FF-TEM), field emission scanning electron microscopy (FE-SEM), atomic force microscopy (AFM), 2D 1H-1H ROESY NMR, fluorescence spectra, Fourier transform infrared (FT-IR) spectroscopy, and X-ray diffraction (XRD). The results of TEM, SEM, FF-TEM, AFM indicated the formation of the vesicles of β-CD/Tyloxapol and they presented aggregation-induced emission enhancement properties because the alkyl chain of Tyloxapol molecules come into the cavity of β-CD and form the inclusion complexes, while α-CD/Tyloxapol showed aggregation-induced quenching fluorescence emission properties because the interaction between PEO chain of Tyloxapol molecules and α-CD. Moreover, the vesicles of β-CD/Tyloxapol are responsive to external stimuli and their fluorescent intensities were changed by various environmental conditions such as urea, phenylalanine, α-Amylase and NaOH. These properties made our vesicles a promising candidate as novel smart stimuli-responsive fluorescent vesiclular sensor.
    No preview · Article · Jan 2016 · RSC Advances
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    ABSTRACT: The self-assembly behavior of a nonionic surfactant (n-dodecyl tetraethylene monoether, C12E4) and a peptide amphiphile (PA, C16-GK-3) mixed system were investigated using a combination of microscopic, scattering and spectroscopic techniques including transmission electron microscopy (TEM), field emission-scanning electron microscopy (FE-SEM), atomic force microscopy (AFM), polarized optical microscopy (POM) observations, small-angle X-ray scattering (SAXS), Fourier transform infrared (FT-IR ), circular dichroism (CD) and rheological measurements. With the change of the contents of C16-GK-3 and C12E4, it induced the transitions in the nanostructures and simultaneously led to changes in macroscopic properties, that is, mixtures of C12E4 with C16-GK-3 can be hierarchically self-assembled into various helical nanofibers and then further assembled to dandelion-like and dendrite nanostructures by changing the composition of C16-GK-3 and C12E4 which resulted transitions from solution, two phase, sol to hydrogel state were noted on the increasing the concentration of C16-GK-3 at a fixed concentration of C12E4 or varying C12E4 concentration at a fixed concentration of C16-GK-3. On the basis of a series of characterizations, we proposed the possible mechanism of the self-assembly, for which the hydrogen bonding interaction between the headgroups of C16-GK-3 and between C16-GK-3 and C12E4 as well as hydrophobic interaction between the alkyl chains of C16-GK-3 and C12E4 were the main driving forces.
    Full-text · Article · Jan 2016 · RSC Advances
  • Guokui Liu · Heng Zhang · Gang Liu · Shiling Yuan · Chengbu Liu
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    ABSTRACT: All-atom molecular dynamics (MD) simulations were performed to study the effects of different tetraalkylammonium (TAA(+)) counterions, including tetramethylammonium (TMA(+)), tetraethylammonium (TEA(+)), tetrapropylammonium (TPA(+)) and tetrabutylammonium (TBA(+)), on dodecyl sulfate (DS(-)) micelles. Structural properties, such as the radius of gyration (Rg), micelle radius (Rs), micelle size, solvent accessible surface area (SASA), carbon and sulfur distribution, hydration numbers, and distribution of polar heads on the micelle surface, were investigated. The simulation results show that the longer the carbon chains of the TAA(+) counterion, the greater the radius of the micelle formed. TMA(+) leads to the most compact structure of the DS(-) micelle among the five studied systems and DS(-) and TAA(+) formed mixed-micelles. There are mainly four interaction patterns between TAA(+) and DS(-) ions, and the pattern in which two alkyl chains of the TAA(+) ion penetrate into the DS(-) micelle is the most favorable one. Based on the preceding analysis, a model based on this MD method is proposed.
    No preview · Article · Dec 2015 · Physical Chemistry Chemical Physics
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    ABSTRACT: A salt-free surfactant system formed by a peptide amphiphile with short headgroup (PA, C16-GK-3) and a zwitterionic surfactant (dodecyldimethylamine oxide, C12DMAO) in water has been systematically investigated. The microstructures and properties of C16-GK-3/C12DMAO mixed system were characterized using a combination of microscopic, scattering and spectroscopic techniques, including transmission electron microscopy (TEM), field emission-scanning electron microscopy (FE-SEM), atomic force microscopy (AFM), Fourier transform infrared (FT-IR), circular dichroism (CD) and rheological measurements. Rich phase transitions have been observed by adjusting the concentration of C16-GK-3. Investigation of the hydrogels of C16-GK-3/C12DMAO with TEM, SEM and AFM showed that all of these hydrogels form nanobelts. The nanobelt formation is performed in a hierarchical manner: β-sheet peptides and C12DMAO first interact each other to form small aggregates, which then arrange themselves to form one dimensional (1D) left-handed ribbons. The ribbons further aggregated into flat and rigid nanobelts. We proposed a mechanism to interpret the self-assembly process according to the specific peptide structure as well as multiple equilibria between the hydrogen bonding interactions between the headgroups of C16-GK-3, between C12DMAO molecules and the headgroups of C16-GK-3, chirality of the amino acid residues and hydrophobic interactions of the alkyl chains.
    Full-text · Article · Dec 2015 · Journal of Colloid and Interface Science
  • Enze Li · Zhiping Du · Shiling Yuan · Fangqin Cheng
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    ABSTRACT: The low flotation recovery of sylvite from salt lakes at low temperatures has dogged the cryogenic producer for many years. Interfacial water structure at sylvite crystal surfaces has been considered as one noticeable aspect on interpreting the selected KCl collection during flotation, and so the microscopic structure of the water membrane over KCl crystal surfaces at low temperatures was modeled through the use of molecular dynamics methods. In our simulation, the properties of the water membrane adjacent to KCl crystal surface, such as molecular mobility, water structure and preferred molecular orientation, were compared to the results for an otherwise identical system at higher temperatures or in saturated KCl solutions in the absence of a KCl crystal. In our simulation, hydrogen atoms approached the KCl crystal surface more closely, and the mobility of water molecules was more restricted compared to results for saturated KCl solutions. When the temperature decreased, the mobility of water molecules decreased, the number of hydrogen bonds made by the water molecules in the membranes was reduced and the molecules exhibited greater order than in other systems we studied. It was proposed that the property of KCl salt may change from water 'structure breaker' to 'structure maker' when temperature decreases. These results may provide complementary information which cannot be obtained from experiments on the research of flotation at low temperature directly.
    No preview · Article · Nov 2015 · Minerals Engineering
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    Lin Wang · Xia Xin · Mengzhou Yang · Jinglin Shen · Shiling Yuan
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    ABSTRACT: Graphene oxide (GO) was successfully incorporated into a hybrid lyotropic liquid crystal matrix formed by two kinds of surfactants n-dodecyl tetraethylene monoether (C12E4) and 1-dodecyl-3-methylimidazolium bromide ionic liquid (C12mimBr). By changing the ratios of C12E4 and C12mimBr, two types of C12E4/C12mimBr LLC matrixes (lamellar and hexagonal phase) were formed and the effects of the concentration of GO and temperature on the properties of GO/C12E4/C12mimBr LLC composites were systematically investigated by using polarized optical microscopy (POM) observations, small-angle X-ray scattering (SAXS) and rheological measurement. Both POM observations and SAXS results indicated that GO can be well-dispersed in the hybrid LLC matrixs at room temperature. Moreover, after the incorporation of GO, the temperature tolerance of GO/C12E4/C12mimBr LLC composites were enhanced compared with pure C12E4/C12mimBr hybrid LLC and aggregated GO was not observed in the hybrid hexagonal C12E4/C12mimBr LLC matrix with the increase of temperature while it can be observed in the hybrid lamellar C12E4/C12mimBr LLC matrix. The results of rheological measurements showed that the addition of GO were helpful for enhancing the mechanical properties of C12E4/C12mimBr LLC. Thus, the success preparation of GO/hybrid LLC composites can highly improve the temperature resistance of these materials and widen the applications of GO/LC materials in nanotechnology, electrochemical, drug delivery systems and bioengineering areas.
    Full-text · Article · Aug 2015 · RSC Advances
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    ABSTRACT: Sodium deoxycholate/graphene oxide (NaDC/GO) composite hydrogels were prepared in varying salinity. The hydrogels were characterized in detail by phase behavior study, transmission electron microscopy (TEM) observations, scanning electron microscopy (SEM) observations, X-ray powder diffraction (XRD) mesurements, Fourier transform infrared (FT-IR) spectra and rheological measurements. It was found that the introduction of GO to NaDC hydrogel enhances the mechanical strength of the composite hydrogel. When contacted with methylene blue solution, methylene blue can be absorbed inside the gel accompanied with a swelling of the gel. On the contrary, the hydrogel forms by NaDC only dissolves in methylene blue solution, forming a homegeous solution. Further study reveals that the gelation of NaDC/GO composite gel can be accelerated by an increase in salinity. This work may open the door for a variety of applications of NaDC/GO composite hydrogels such as in biotechnology, drug delivery and sewage treatment.
    Full-text · Article · Jul 2015 · Colloids and Surfaces A Physicochemical and Engineering Aspects
  • Gang Liu · Heng Zhang · Wenchong Wang · Shiling Yuan
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    ABSTRACT: In this Letter, the kinetic Monte Carlo simulations are employed to study the microscopic mechanisms of patterning molten organic particles based on liquid behavior on templated surfaces. The simulated results show that the binding energy difference between the organic particle and templated surface plays a key role in the anisotropic wetting of organic particles. And the square root of time law between the spreading distance and simulated time on different temperatures is well consistent with experimental observation. We also note that the geometry effect of channel edge has very significant effect on the dependence of spreading velocity on template dimensions.
    No preview · Article · May 2015 · Chemical Physics Letters
  • Hui Yan · Shiling Yuan · Suyuan Zeng · Meiju Niu
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    ABSTRACT: The site-selective deposition behavior of perylene onto a self-assembled monolayers (SAMs) patterned substrate was studied using the equilibrium and steered molecular dynamics simulations. Four kinds of different densely packed SAMs were constructed on silicon oxide substrates as the patterned templates. Equilibrium MD simulations showed that the packing density of alkyl chains on the substrate could influence the deposition behavior of the organic molecules. The potential of mean force (PMF) of the deposition process of perylene onto different density packed SAMs, which was calculated by the umbrella sampling with the weighted histogram analysis method (WHAM), determined the favorite location of perylene on the SAM. The equilibrium and non-equilibrium MD methods gave the same conclusion about the deposition positions of organic molecules on the patterned substrate. In summary, this comprehensive study is expected to provide useful information for the synthesis of new functional materials.
    No preview · Article · May 2015 · Applied Surface Science
  • Jichao Sun · Heng Zhang · Kai Guo · Shiling Yuan
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    ABSTRACT: Dipeptide sodium salts derived from alanine can readily self-assemble into helical nanostructures as observed in experiments. But what are the primary driving forces of the organizing process at the molecular level is still worthwhile discussing. In this study, molecular dynamics simulation was employed to investigate the nanostructure at the molecular level, and different driving forces were deduced for the self-assembled process of dipeptide sodium salts. The simulated results showed that van der Waals forces are in favour of the aggregation of alkyl chains in the solution, resulting in one hydrophobic core of condensed fibril. Hydrogen bonds and electrostatic interactions represented by the water-bridge and salt-bridge structure between dipeptide molecules are major driving forces for the hydrophilic amide groups to form the nanostructure shell. In the self-assembly, the bilayer structure of the dipeptide was the basic unit of helical fibril. The structures of the salt bridge and water bridge are distributed over the surface of the fibril, weakening the electrostatic interaction between the dipeptide molecules. The results show that water molecules penetrating into the self-assembled structure should be considered as one part of the peptide self-assembly. Analysis of the self-assembled conformation showed that the hydrophilic amide groups aggregated as small clusters in the hydrophilic shell. Terminal amide groups, forming hydrogen bonds with water molecules around the chiral carbon atom, decide the handedness of the self-assembly.
    No preview · Article · Jan 2015 · RSC Advances
  • Fengfeng Gao · Zhen Xu · Guokui Liu · Shiling Yuan
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    ABSTRACT: Carboxyl asphaltene is commonly discussed in the petroleum industry. In most conditions, electroneutral carboxyl asphaltene molecules can be deprotonated to become carboxylate asphaltenes. Both in crude oil and at the oil/water interface, the characteristics of anionic carboxylate asphaltenes are different than those of the carboxyl asphaltenes. In this paper, molecular dynamics (MD) simulations are utilized to study the structural features of different asphaltene molecules, namely, C5 Pe and anionic C5 Pe, at the molecular level. In crude oil, the electroneutral C5 Pe molecules prefer to form a steady face-to-face stacking, while the anionic C5 Pe molecules are inclined to form face-to-face stacking and T-shaped II stacking because of the repulsion of the anionic headgroups. Anionic C5 Pe has a distinct affinity to the oil/water interface during the simulation, while the C5 Pe molecules persist in the crude oil domain. A three-stage model of anionic C5 Pe molecules adsorbed at the oil/water interface is finally developed.
    No preview · Article · Dec 2014 · Energy & Fuels
  • Enze Li · Zhiping Du · Guoyong Wang · Fangqin Cheng · ShiLing Yuan
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    ABSTRACT: The aggregation behaviors of two trisiloxane-tailed surface active ionic liquids in water have been investigated by coarse-grained (CG) molecular dynamics simulation on the basis of MARTINI force field. The new CG model is developed from the optimized molecule computed by using density functional theory. Direct comparison of angles and bonds obtained from all-atom (AA) simulations with those calculated from the CG model has been conducted to validate the latter model. Excellent agreement between AA and CG demonstrates that the potential of the new CG model can represent the complex system well. The long time CG simulation has been performed to understand the formation process of micelles when dissolving ionic liquids in water. Vesicles were observed at the final stage of the simulation and their partially truncated views and density profiles were obtained to describe the structure in detail.
    No preview · Article · Nov 2014 · Journal of Dispersion Science and Technology
  • BaoShuo Li · ShiLing Yuan
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    ABSTRACT: The TiMgAlCu mixed oxides, based on hydrotalcite-like compounds, was developed as novel SOx removal catalysts for FCC (fluid catalytic cracking) process. The mixed oxides were prepared by modified co-precipitation method and estimated for SOx removal under conditions similar to those of FCC units. XRD, TG/DTA and N2 adsorption analysis were performed to investigate the physicochemical and textural properties of the samples. The analysis results indicated that all the samples exhibit good dispersion of metal oxides in the matrix. The SOx adsorption–reduction tests showed that the novel TiMgAlCu catalysts with 15%Ti and 1% Cu had a good performance on SOx removal. Moreover, the particle size had obvious effect on the adsorption activity of sulfur remove catalysts and the best fit particle size is from 100 to 300 μm.
    No preview · Article · Sep 2014 · Ceramics International
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    ABSTRACT: Two kinds of carbon materials,i.e., graphene and graphene oxide (GO), were successfully incorporated into a lyotropic liquid crystal (LLC) matrix formed by n-dodecyl tetraethylene monoether (C12E4). The properties of graphene/C12E4 and GO/C12E4 LLC composites were characterized by UV-vis absorption, transmission electron microscopy (TEM) observations, polarized optical microscopy (POM) observations, small-angle X-ray scattering (SAXS) and rheological measurements. SAXS results indicate that both graphene and GO are well-dispersed in the C12E4 LLC matrix and some interactions occur between C12E4 LLC matrix and graphene (or GO) sheets. Moreover, it is demonstrated that graphene interacts with the hydrophobic part of C12E4 LLC while GO mainly interacts with the hydrophilic part of C12E4 LLC because of the different properties of graphene and GO. Integration of graphene and GO into C12E4/PEG systems by a spontaneous phase separation method reveals the different interaction mechanisms of graphene and GO with C12E4 LLC. It can be concluded that the mechanical and electrical properties of the C12E4 LLC have been largely improved by the incorporation of graphene and GO, which opens the door for wide applications in nanotechnology, electrochemical and biochemical areas.
    Full-text · Article · Aug 2014 · Physical Chemistry Chemical Physics
  • Fengfeng Gao · Hui Yan · Qiwei Wang · Shiling Yuan
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    ABSTRACT: In enhanced oil recovery (EOR), the micro-oil droplet heavily affected the stability of foam and prevented foam flooding. In this paper, the oil bridge-stretching mechanism of foam rupture was described through molecular dynamics with the aim of providing supplements to the experiments at the molecular level. Two important phenomena for foam rupture have been pointed out by the simulation. One is about the pseudoemulsion film, representing the stability of the oil-water-air three phase interface. The bound water connecting the headgroups of the surfactant through strong H-bonding interactions played a vital role in the stability of the pseudoemulsion film. These water molecules could hinder the disappearance of the water phase in the pseudoemulsion film. The additional energy barrier, which was influenced by the surfactant concentration, also played a vital role in preventing the destruction process. The other factor is about the oil bridge, which appeared after the destruction of the pseudoemulsion film. The external horizontal force stretched the bridge resulting in the destruction of the bridge. The process was decided by the properties of the oil molecules. In the simulation, the stretching force was divided into three stages including the initial increasing force, the middle equilibrium force and the final decreasing force. Especially the second equilibrium force, which stretched the middle of the oil bridge so that it became thin, was vital to the foam rupture. The concentration and properties of the oil molecules were the crucial factors for foam rupture. The simulated results offer important supplements to experiments.
    No preview · Article · Jul 2014 · Physical Chemistry Chemical Physics
  • Hua Wang · Heng Zhang · Shiling Yuan · Zhen Xu · Chengbu Liu
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    ABSTRACT: The adsorption of polyelectrolyte surfactant mixture of sodium poly(acrylic acid) (NaPAA) and dodecyl trimethyl ammonium bromide (C(12)TAB) at the air/water interface was studied using molecular dynamics simulation. In our simulations, the transition from monolayer adsorption of a polymer surfactant complex to a multilayer structure was observed with increasing surfactant concentration at the interface. For the multilayer structure, the two polyelectrolyte chains were linked by two layers of surfactant molecules which adopted a tail-to-tail arrangement. The results indicated that the electrostatic interaction was the main driving force for the binding of surfactants to the polyelectrolyte, meanwhile the hydrophobic interaction between surfactant tails induced a layer-by-layer packing arrangement at high surfactant concentration. The dynamic properties of inorganic ions implied that the complex of polyelectrolyte and surfactant was an ion-exchange process. Our conclusions are in accordance with experimental results on polyelectrolytes and ionic surfactants.
    No preview · Article · Jul 2014 · Colloids and Surfaces A Physicochemical and Engineering Aspects
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    Lin Wang · Xia Xin · Kai Guo · Mengzhou Yang · Xin Ma · Jing Yuan · Jinglin Shen · Shiling Yuan
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    ABSTRACT: Carbon nanotubes (CNTs) were incorporated into a lyotropic liquid crystal (LLC) matrix at room temperature through spontaneous phase separation. The phase separation process occurred in n-dodecyl tetraethylene monoether (C12E4) solutions induced by the hydrophilic polymer, poly(ethylene glycol) (PEG). It was found that the molecular weight of PEG has a significant effect on the CNTs-C12E4 system, which not only influences the phase behavior of the system but also changes the properties of the CNTs-LLC composites. Polarized optical microscopy (POM) images, combined with small-angle X-ray scattering (SAXS) results, indicate that CNTs incorporate within the layers of the lamellar LLCs without destroying the structure of LLCs. Moreover, UV-vis absorption, Raman spectra and rheological measurements were performed to investigate the characteristic properties of the CNTs-LLC composites. This study not only gives a more comprehensive understanding of polymer-induced phase separation, but also expands the potential uses of CNTs-LLC composites in nanotechnology.
    Full-text · Article · Jun 2014 · Physical Chemistry Chemical Physics