Materials Literature
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Abstract Utilizing anionic waterborne polyurethane (WPU) as a plasticizer, for the first time, we prepared new soy protein isolate (SPI) plastics. The WPU was prepared by using the emulsion‐extending‐chain method, and mixed with soy protein in aqueous dispersion. The mixture was cast, cured, pickled and hot‐pressed to…
We report a conventional ab initio and density functional theory study of the polarizability (alpha(alphabeta)/e(2)a(0) (2)E(h) (-1)) and hyperpolarizability (gamma(alphabetagammadelta)/e(4)a(0) (4)E(h) (-3)) of the sodium dimer. A large [18s14p9d2f1g] basis set is thought to yield near-Hartree-Fock values for both pr…
Polystyrene- block -poly(methyl methacrylate) copolymers containing [4π + 4π] anthracene photodimer at the junction point between the blocks (PS-AA-PMMA) can be cleaved to the parent homopolymer blocks upon heating above 130 °C or by UV irradiation at 280 nm. PS-AA-PMMA was characterized and then used in thin films to…
We present an ab initio molecular orbital theoretical approach to the origin of nonlinear optical (NLO) properties in the $\mathrm{Te}{\mathrm{O}}_{2}$-based materials from the viewpoint of ``electron pairs'' assigned to the individual chemical bond. Localized static dipole moments, linear polarizabilities, and hyperp…
The high-resolution calorimetric study was carried out on octylcyanobiphenyl liquid crystal (LC) confined to various controlled-pore glass (CPG) matrices with silane-treated surface. The diameter of the voids cross section ranged between 23.7 and 395 nm. The results are compared to those obtained previously on CPG voi…
Experimental evidence of a self-assembly process was obtained where high-temperature ${\mathrm{O}}_{2}$ annealing $(1025\phantom{\rule{0.2em}{0ex}}\ifmmode^\circ\else\textdegree\fi{}\mathrm{C})$ induced a surface reorganization in $\mathrm{Ce}{\mathrm{O}}_{2}$ deposited on $R$-cut sapphire substrates. Based on observa…
A novel mesoporous solid acid catalyst named UDCaT-4 was synthesized by incorporating superacidic centers of persulfated alumina and zirconia into highly ordered and well-defined hexagonal mesoporous silica. The catalyst is well characterized, and its properties are compared with those of bulk persulfated alumina and…
We use the density functional theory and x-ray and neutron diffraction to investigate the crystal structures and reaction mechanisms of intermediate phases likely to be involved in decomposition of the potential hydrogen storage material LiAlH(4). First, we explore the decomposition mechanism of monoclinic LiAlH(4) in…
Abstract Polypropylene/layered silicate nanocomposites were prepared from base polymer (10 MFI) and octadecylamine modified montmorillonite (1.30P nanomer), melt compounded with and without compatibilizer, i.e., maleic anhydride grafted polypropylene (Epolene‐G3015). Physico‐mechanical properties of the virgin PP and…
In this work we present a systematic density functional theory study of the electronic properties of single-walled carbon nanotubes (SWNT) with diameters ranging from 3 to 5 A. In this work meta-generalized-gradient approximation, hybrid, and screened exchange hybrid functionals are utilized to compute energy band gap…
The resistance of natural fiber-filled high-density polyethylene composite specimens to ultraviolet- (UV) and moisture-induced degradation was evaluated by measuring changes to flexural properties. High-density polyethylene (HDPE) served as the polymer matrix for four formulations: two formulations without fiber fille…
The dynamics of phase separation of three-dimensional fluids containing nanospheres, which interact preferentially with one of the two fluids, is studied by means of large-scale dissipative particle dynamics simulations. We systematically investigated the effect of volume fraction, radius, and mass of the nanoparticle…
The thermal stability of gold nanoparticles (2.5−4 nm diameter) on fully stoichiometric TiO 2 (110) rutile substrates in an O 2 atmosphere and in air at up to ambient pressure, and for comparison under ultrahigh-vacuum (UHV) conditions, was investigated by atomic force microscopy (AFM) and X-ray photoelectron spectros…
Abstract Poly(ethylene terephthalate) (PET) containing epoxy‐functionalized polyhedral oligomeric silsesquioxane (POSS) was prepared by melt‐mixing and in situ polymerization methods. The melt‐mixed composite showed phase separation while the in situ polymerized composite did not, based on SEM characterization. During…
Abstract Composites of inherently conductive polypyrrole (PPy) within highly hydrophilic poly(2‐hydroxyethyl methacrylate)‐based hydrogels (p(HEMA)) have been fabricated and their electrochemical properties investigated. The electrochemical characteristics observed by cyclic voltammetry suggest less facile reduction o…
In carbon nanotubes and nanofilaments, the surface properties play a fundamental role for any use or application. It is therefore necessary to know and to control their surface characteristics, which are dependent on the fabrication process and surface treatments. In this work, two selected series of multiwalled nanot…
Abstract Lignocellulosic composites are diversifying their applications into various fields as they can meet the requirements of the respective applications by changing the matrix, fiber resource and processing ingredients. In this research work we explored the potential of extruded rice‐husk‐filled high density polye…
Real-time synchrotron ultrasmall-angle X-ray scattering measurements were performed during the tensile deformation of crystalline phase I poly(1-butene) (P1B). For comparison, high-density polyethylene (HDPE) was also studied. During tensile deformation, the main contribution to the scattering intensity is due to plat…
We report the use of a variety of polyelectrolyte multilayers (PEMs) as selective skins in composite membranes for nanofiltration (NF) and diffusion dialysis. Deposition of PEMs occurs through simple alternating adsorption of polycations and polyanions, and separations can be optimized by varying the constituent polye…
Abstract The elegant approach of in situ deposition technique was used for the synthesis of nano CaCO 3 . the nanosize of particles was confirmed by the X‐ray diffraction (XRD) technique. Differential scanning calorimetry (DSC) was used for determination of the enthalpy. The nano CaCO 3 polypropylene (PP) composites w…