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91.
Hamid Pourtaghi-Zahed Gholam Hossein Zohuri Saeid Ahmadjo 《Journal of Polymer Research》2014,21(3):1-10
The microstructure of rubber-like ethylene-propylene copolymer (MN4) produced by a mixed nickel-based system (MN) containing catalysts of dibromo[N,N′-bis(2,6-diisopropylphenyl)-2,3-butanediimine]nickel(II) n1 and dibromo[N,N′-(phenanthrene-9,10-diylidene)bis(2,6-diisopropylaniline)]nickel(II) n2 was determined by 13C NMR technique. Sequences distribution of ethylene (E), propylene (P), EP, inverted propylene and uninterrupted methylene and also methylene number-average sequence lengths for the copolymer (MN4) were estimated. The results obtained from the MN4 EP copolymer were compared with reported copolymers which had been synthesized using constrained geometry catalyst (CGC) and vanadium-based Ziegler-Natta catalyst. The results demonstrated that the MN4 EP copolymer had fewer alternating comonomer sequences than ethylene-propylene elastomers obtained by CGC and vanadium-based (V) catalysts. A large number of the inversion structures (66 %) and high mole percent of sequences containing a long branch (3.2 mol%) were also observed in unique microstructure of the copolymer (MN4). 相似文献
92.
In this work, a conformational analysis of (thioxosilyl) ethyleneselenol was performed using several computational methods, including density-functional theory (DFT) (B3LYP), MP2 and G2MP2. Harmonic vibrational frequencies were estimated at the same levels to confirm the nature of the stationary points found and also to account for the zero point vibrational energy correction. MES-1 and TES-1 conformers exhibit hydrogen bonding. This feature, although is not the dominant factor in the stability of conformers, appears to be of foremost importance to define the geometry of the molecule. Two intramolecular hydrogen bonds established between the polar groups were identified by the structural geometric parameters. These involved the thiol and selenol functional groups and were identified and characterized by the frequency shift in their stretching vibration modes. Furthermore, the excited-state properties of intramolecular hydrogen bonding have been investigated theoretically using the time-dependent DFT method. The influence of the solvent on the stability order of conformers and the strength of intramolecular hydrogen bonding was considered using the PCM (polarizable continuum model), SCI-PCM (self consistent isodensity-polarizable continuum model) and IEF-PCM (integral equation formalism-polarizable continuum model) methods. The “atoms in molecules” theory of Bader was used to analyze critical points and to study the nature of hydrogen bond in these systems. Natural bond orbital (NBO) analysis was also performed for better understanding the nature of intramolecular interactions. The calculated highest occupiedmolecular orbital and lowest unoccupied molecular orbital energies show that charge transfer occur within the molecule. Further verification of the obtained transition state structures was implemented via intrinsic reaction coordinate analysis. Calculations of the 1H NMR chemical shift at the GIAO/B3LYP/6–311++G** level of theory are also presented. 相似文献
93.
Javad Safaei-Ghomi Marzieh Kiani Abolfazl Ziarati Hossein Shahbazi-Alavi 《Journal of Sulfur Chemistry》2014,35(4):450-457
ZrP2O7 nanoparticles as an efficient catalyst have been used for the preparation of benzopyrano[2,3-b]pyridines from the four-component condensation reaction of salicylalde-hydes, thiols, and 2 equiv. of malononitrile under reflux conditions in ethanol in excellent yields and short reaction times. 相似文献
94.
95.
The ozonation process has become one of the most favorable processes among soil remediation technologies nowadays. Ozone, which has an oxidation potential of 2.07 V and acts as a powerful oxidizer, is capable of degrading organic pollutants of soil in a short period of time without producing any toxic residuals. In this study the capability of ozone, as an ex-situ method of soil treatment, in remediating the leachate-contaminated soil has been investigated. To maximize the removal efficiency of organic content of soil, design of experiments using the response surface method (RSM) and central composite design (CCD) have been employed. To select the range of effective parameters several experiments were performed at laboratory scale. Results showed a range of effective parameters on the ozonation process, including pH, humidity, and initial soil pollution. Present research shows that acid-washed ozone greatly enhanced the removal efficiency. According to the developed model, the maximum removal efficiency using acid-washed ozone was obtained by setting the parameters as pH = 10.8, humidity of 5% and initial organic content of soil to be 7720 mg/kg. Confirmation experiments showed that RSM could be effectively utilized for the optimization of the ozonation process. Analysis of variance also showed that pH was the most significant factor affecting removal efficiency. 相似文献
96.
In this study, polystyrene and poly(vinyl chloride) particles were coated successfully with polythiophene in aqueous media. These nanocomposites were prepared in situ by polymerization of thiophene in the presence of FeCl3 as an oxidant and poly(vinyl pyrrolidone) as a surfactant. The effect of Fe2O3 nanoparticles on the characteristics of products such as thermal stability and morphology was investigated. The chemical structure, morphology, and thermal stability of these core‐shell nanocomposites were studied by Fourier‐transform infrared spectroscopy, scanning electron microscopy, X‐ray diffraction, and thermogravimetric analysis. Thermal stability of the nanocomposites was compared and indicated that the thermal stability of polythiophene/polystyrene was better than the polythiophene/poly(vinyl chloride) nanocomposite. Also, the presence of Fe2O3 nanoparticles can drastically increase the thermal stability of polythiophene nanocomposites. J. VINYL ADDIT. TECHNOL. 20:212–217, 2014. © 2014 Society of Plastics Engineers 相似文献
97.
Synthesis of biocompatible and degradable microspheres based on 2‐hydroxyethyl methacrylate via microfluidic method 下载免费PDF全文
Mohammad Tarameshlou Seyed Hassan Jafari Iraj Rezaeian Hossein Ali Khonakdar 《应用聚合物科学杂志》2014,131(20)
Monodisperse poly(2‐hydroxyethyl methacrylate), p‐HEMA, microspheres in size ranging from 16 to 340 (μm) were synthesized by in situ emulsion photopolymerization of HEMA monomer with polyethylene glycol diacrylate (p‐EGDA) by means of a three‐dimensional microfluidic flow‐focusing device. An aqueous solution of HEMA, p‐EGDA as chain extender and UV‐photoinitiator serving as dispersed phase formed microdroplets in a continuous oil phase mainly consisting of n‐heptane. A downward coaxial orifices design in the device led to confinement of the reaction admixtures thread to central axis of the microchannels. This design strategy could solve the wetting problem of dispersed phase with the microchannels leading to a successful production of monodisperse microspheres with size variation of less than 4%. The effects of concentration of p‐EGDA, surfactant, and flow rate ratios on microsphere size were examined. It was observed that increasing the concentration of p‐EGDA slightly increases the size whereas increasing the flow rate ratios of continuous to dispersed phase effectively decreases the size of microspheres. The rapid continuous synthesis of p‐HEMA based microspheres via the microfluidic route with reliable control over size, size distribution, and composition opens new doors for mass production of biocompatible and degradable polymeric microspheres for enormous biotechnological applications. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014 , 131, 40925. 相似文献
98.
Kinetic study of styrene atom transfer radical polymerization from hydroxyl groups of graphene nanoplatelets: Heterogeneities in chains and graft densities 下载免费PDF全文
Hossein Roghani‐Mamaqani Vahid Haddadi‐Asl Khezrollah Khezri Mehdi Salami‐Kalajahi Mohammad Najafi 《Polymer Engineering and Science》2015,55(8):1720-1732
Confinement effect of graphene nanoplatelets on the kinetics of styrene atom transfer radical polymerization was studied by a “grafting from” reaction. Graphene oxide was modified by different amounts of (3‐aminopropyl) triethoxysilane and then alpha‐bromoisobutyryl bromide from the hydroxyl groups. Polymerization of styrene in the presence of modified graphene and free initiator, ethyl alpha‐bromoisobutyrate, was accomplished at 110°C. Then, effect of various graft densities and different graphene loadings on the heterogeneous graft and free polystyrene chains characteristics and also kinetics of polymerization was studied by gas and gel permeation chromatographies. Efficiency of grafting reactions along with the graft contents was studied by X‐ray photoelectron spectroscopy, elemental analysis, and thermogravimetric analysis. Confinement effects of graphene on the relaxation behavior of polystyrene chains and also morphology of the graphenes were studied by differential scanning calorimetry and transmission electron microscopy, respectively. POLYM. ENG. SCI., 55:1720–1732, 2015. © 2014 Society of Plastics Engineers 相似文献
99.
Evolution of vinyl chloride conversion below critical micelle concentration: A response surface analysis 下载免费PDF全文
Amir Saeid Pakdel Mohammad Rezaei Behbahani Mohammad Reza Saeb Hossein Ali Khonakdar Hossein Abedini Mehdi Moghri 《乙烯基与添加剂工艺杂志》2015,21(3):157-165
Utilizing response surface methodology, the conversion of vinyl chloride monomer (VCM) was monitored when the polymerization temperature, the type of surfactant, and the weight ratio of water‐to‐monomer (W/M) were taken as the emulsion polymerization variables. Because the homogeneous nucleation was found to be the dominant mechanism in VCM emulsion polymerization, irrespective of the surfactant concentration, the whole experiments have been carried out below critical micelle concentration of the used surfactants. Among all the studied variables, the polymerization temperature appeared as the most effective parameter; moreover, its interactive effect with W/M caused different trends in the alteration of final conversion being observed. Also, depending on the reaction temperature, the VCM conversion would be affected by the type of the surfactant used. Contrarily, simultaneous change in the type of surfactant and W/M revealed an insignificant effect on the evolution of VCM conversion. The optimization of final conversion of VCM was also accessible through contour plots of response surface methodology. It is worth noting that, taking a conventional approach into consideration, the alteration of VCM conversion seemed to be a monotonic function of temperature. J. VINYL ADDIT. TECHNOL., 21:157–165, 2015. © 2014 Society of Plastics Engineers 相似文献
100.
Supertough (Polyamide 6)/(acrylonitrile butadiene rubber) nano alloy through in situ polymerization of caprolactam in the presence of acrylonitrile butadiene rubber nanophase 下载免费PDF全文
Shervin Ahmadi Yousef Jahani Ghasem Naderi Amir Hossein Asadollahzadeh 《乙烯基与添加剂工艺杂志》2015,21(2):116-121
In this work, polymerization of caprolactam (CL) was carried out in the presence of acrylonitrile butadiene rubber (NBR) during the reactive melt‐mixing process. During shear mixing, NBR particles swelled and dissolved in the molten CL, which led to separation and distribution of rubber particles to nanoscale in the dissolution stage. Then, in an internal mixer, supertough Polyamide 6 was prepared via melt polymerization of CL/NBR mixture, sodium caprolactam as a catalyst, and hexamethylene diisocyanate as an activator. The effects of various concentrations of catalyst and activator on the initiation time of the reaction were determined. Physical and mechanical properties of different formulations prepared via reactive melt blending were determined by tensile and impact measurements, differential scanning calorimetry, Fourier‐transform infrared spectroscopy, X‐ray scattering techniques, transmission electron microscopy, and dynamic mechanical thermal analysis. Experimental results showed that a recipe with 3% nitrile rubber in a CL/NBR mixture enhances the physical and mechanical properties the best, compared with other formulations. This condition led to the formation of NBR nanospheres during melt polymerization of Polyamide 6 as well. J. VINYL ADDIT. TECHNOL., 21:116–121, 2015. © 2014 Society of Plastics Engineers 相似文献