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        Prediction of Thermal Decomposition Temperature of Polymers Using QSPR Methods

        Ajloo, Davood,Sharifian, Ali,Behniafar, Hossein Korean Chemical Society 2008 Bulletin of the Korean Chemical Society Vol.29 No.10

        The relationship between thermal decomposition temperature and structure of a new data set of eighty monomers of different polymers were studied by multiple linear regression (MLR). The stepwise method was used in order to variable selection. The best descriptors were selected from over 1400 descriptors including; topological, geometrical, electronic and hybrid descriptors. The effect of number of descriptors on the correlation coefficient (R) and F-ratio were considered. Two models were suggested, one model having four descriptors ($R^2$ = 0.894, $Q^2_{cv}$ = 0.900, F = 172.1) and other model involving 13 descriptors ($R^2$ = 0.956, $Q^2_{cv}$ = 0.956, F = 125.4).

      • KCI등재

        Prediction of Thermal Decomposition Temperature of Polymers Using QSPR Methods

        Davood Ajloo,Ali Sharifian,Hossein Behniafar 대한화학회 2008 Bulletin of the Korean Chemical Society Vol.29 No.10

        The relationship between thermal decomposition temperature and structure of a new data set of eighty monomers of different polymers were studied by multiple linear regression (MLR). The stepwise method was used in order to variable selection. The best descriptors were selected from over 1400 descriptors including; topological, geometrical, electronic and hybrid descriptors. The effect of number of descriptors on the correlation coefficient (R) and F-ratio were considered. Two models were suggested, one model having four descriptors (R2 = 0.894, Q2 cv = 0.900, F = 172.1) and other model involving 13 descriptors (R2 = 0.956, Q2 cv = 0.956, F = 125.4).

      • KCI등재

        Epoxy Networks Cured with α,ω-Diamino Polyoxytetramethylene in the Presence of Polyoxytetramethylene-coated Silica Nanoparticles

        Fariba Jafari-soghieh,Hossein Behniafar 한국고분자학회 2019 폴리머 Vol.43 No.1

        In this study, α,ω-diamino polyoxytetramethylene (APOTM) was used as a new polyoxyalkylene hardener of diglycidyl ether of bisphenol A (DGEBA) epoxy resin. To reinforce the thermo-mechanical behavior of the corresponding epoxy networks, the curing processes were performed in the presence of amine-functionalized silica nanoparticles (AFSNP"s). Three different contents of AFSNP"s, i.e. 5.0, 7.5 and 10.0 wt%, were employed for covalent embedding into the resultant DGEBA/APOTM epoxy networks. Therefore, three epoxy-silica films labeled by EN/AFSNP′s-5, EN/AFSNP′s-7.5 and EN/AFSNP′s-10 were fabricated. The AFSNP′s-loaded DGEBA/APOTM epoxies showed superior thermo-stability in comparison with the neat epoxy counterpart. According to the results obtained from DMTA measurements, the storage moduli (E" values) of the epoxies were significantly improved by adding the organically modified silica nanofiller.

      • KCI등재

        Amphiphilic A3B3 miktoarm star polymer: synthesis and micellization study by fluorometry, TEM and DLS techniques

        Abbas Rezaei,Faezeh Aminian,Hossein Behniafar 한국고분자학회 2023 Macromolecular Research Vol.31 No.9

        A new amphiphilic six-armed A3B3-type miktoarm star polymer was synthesized starting from a triazidohydrin as the core. First, three hydrophobic arms of polycaprolactone were formed on the core through ring-opening polymerization (core-first method). Next, presynthesized PEG-based hydrophilic arms were attached to the previous structure using click chemistry (arm-first method). In the vicinity of the junction of the hydrophilic arms to the core, bio-reducible disulfide bonds were embedded. The prepared star polymer was characterized by elemental analysis and spectroscopic techniques (FT-IR and H-NMR). Using transmission electron microscopy (TEM) it was found that the amphiphilic macromolecules at concentrations higher than critical micelle concentration (CMC) formed spherical micelles with an average diameter below 100 nm. The CMC of the synthesized amphiphilic polymer in aqueous solution was determined by fluorometric method via examining the emission spectra of an organic probe. Thus, it was measured to be 1.76 × 10–3 mg/mL (3.90 × 10–7 M). In addition, dynamic light scattering measurements indicated that the spherical micelles had a mean hydrodynamic diameter (DH) of ~ 70 nm and polydispersity index of 0.17.

      • KCI등재

        Amine-Functionalized TiO2 Nanoparticles Covalently Loaded into Epoxy Networks via Thermal and Microwave Curing Processes

        Khaledeh Malekshahinezhad,Aziz Ahmadi-khaneghah,Hossein Behniafar 한국고분자학회 2020 Macromolecular Research Vol.28 No.6

        TiO2 nanoparticles were surface modified by NH2-functionalized organic moieties, and then chemically loaded into diglycidyl ether of bisphenol A-derived epoxy networks. Amine functionalization of these organically modified nanoparticles allowed them to have an efficient participation in the curing processes. Alongside the main amine hardener, i.e., 3,3'-dimethyl-4,4'-diaminodicyclohexylmethane, the aminated TiO2 played the role of a new inorganic co-hardener. Thermal and microwave- assisted curing processes resulted in epoxy-based composites incorporated by uniformly dispersed TiO2 nanoparticles. Diffuse reflectance ultraviolet-visible spectra showed that unlike the neat synthesized counterparts, TiO2-loaded epoxy composites have significant absorption in the visible range of 400-700 nm. According to the results obtained from atomic force microscopy technique, it was found that the microwave-assisted curing process results in a smoother surface in comparison with the thermal one. Transmission electron microscopy obviously demonstrated that the average size of the loaded particles is below 50 nm. Thermogravimetric analysis of the TiO2-containing epoxy networks revealed that the resulted composites are thermally decomposed through a simple one-step process at about 360 °C. Dynamic mechanical thermal analysis profiles indicated that no agglomeration of the nanoparticles occurs during the curing processes of the epoxy resin, and the incorporated nanoparticles somewhat limit the segmental motions of the polymer chains.

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