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Single particle slow dynamics of confined water

Paola Gallo2000-01-01Physical Chemistry Chemical Physics

Molecular dynamics simulations of SPC/E water confined in a silica pore are presented. The simulations have been performed at different hydration levels and temperatures to study the single particle dynamics. Due to the confinement and to the presence of a hydrophilic surface, the dynamic behaviour of the liquid appea…

Material Dynamics and PropertiesNanopore and Nanochannel Transport StudiesAdvanced Physical and Chemical Molecular Interactions

Viscoelastic behavior of semicrystalline polymers at elevated temperatures on the basis of a two-process model for stress relaxation

V. Djokovi、D. Kostoski、M. D. Drami anin2000-01-01Journal of Polymer Science Part B Polymer Physics

Viscoelastic behavior at elevated temperatures of high-density polyethylene and isotactic polypropylene was investigated by using the stress relaxation method. The results are interpreted from the view of an established two-process model for stress relaxation in semicrystalline polymers. This model is based on the ass…

Mechanical Behavior of CompositesPolymer crystallization and propertiesPolymer Nanocomposites and Properties

Effects of rubber content and temperature on unstable fracture behavior in ABS materials with different particle sizes

Yanchun Han、Ralf Lach、Wolfgang Grellmann2000-01-01Journal of Applied Polymer Science

The fracture behavior of ABS materials with a particle diameter of 110 nm and of 330 nm was studied using instrumented Charpy impact tests. The effects of rubber content and temperature on fracture behavior, deformation mode, stable crack extension, plastic zone size, J-integral value, and crack opening displacement w…

Mechanical Behavior of CompositesPolymer crystallization and propertiesPolymer Nanocomposites and Properties

Prediction of the gas permeability of heterogeneous polymer blends

Jan Kolařı́k、Luca Fambri、Alessandro Pegoretti 等 4 位作者2000-01-01Polymer Engineering and Science

Abstract A recently introduced predictive scheme is used to calculate the permeability of various types of heterogeneous polymer blends, which are characterized by the ratio of the permeability of constituents in the range 10–10,000. The scheme combines a two‐parameter equivalent box model and the data on the continui…

Polymer crystallization and propertiesEpoxy Resin Curing ProcessesMembrane Separation and Gas Transport

Long-range ordered columns of a hexabenzo[bc,ef,hi,kl,no,qr]coronene–polysiloxane complex: towards molecular nanowires

Andreas F. Thünemann、Dirk Ruppelt、C. P. Burger 等 4 位作者2000-01-01Journal of Materials Chemistry

The complexation of a carboxylate functionalized hexabenzocoronene with an amino functionalized polysiloxane results in a polymeric complex, which forms two highly ordered discotic columnar liquid crystalline structures Col1 and Col2. By using small-angle X-ray scattering it was shown that four columns per unit cell a…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsBlock Copolymer Self-Assembly

XPS and SEM characterization of zirconia thin films prepared by electrochemical deposition

P. Stefanov、D. Stoychev、M. Stoycheva 等 5 位作者2000-01-01Surface and Interface Analysis

Electrochemical deposition of zirconia on stainless steel has been investigated in order to provide supports of catalysts for NOx reduction. The zirconia films have been obtained in electrolytes based on anhydrous ethyl alcohol. The structure and chemical composition of the films have been characterized by SEM and XPS…

Catalytic Processes in Materials ScienceElectron and X-Ray Spectroscopy TechniquesAnodic Oxide Films and Nanostructures

Post-Irradiation Characterization of Ultra-High-Fluence Zircaloy-2 Plate

ST Mahmood、DM Farkas、RB Adamson 等 4 位作者2000-01-01OpenAlex

Zircaloy-2 plate with neutron exposure more than 3 × 1026 n/m2 (E > 1 MeV) has been tested to study the effects of ultra-high neutron fluence on the mechanical and physical behavior of Zircaloy-2. The Zircaloy-2 plate used in this study is a section of a 6.4-mm-thick control blade follower that resided in a pre…

Fusion materials and technologiesNuclear reactor physics and engineeringNuclear Materials and Properties

Electrical Conductivity and Diffusion of Oxygen Ions in Rare-Earth-Doped Ceria.

Soichiro Sameshima、Hiroshi Ono、Kenji Higashi 等 6 位作者2000-01-01Journal of the Ceramic Society of Japan

An oxalate coprecipitation method was applied to produce rare-earth-doped ceria powders (Ce0.8R0.2O1.9, R=Yb, Y, Gd, Sm, Nd and La). The powders calcined at 600°C were isostatically compacted and sintered at 1600°C in air to reach a relative density exceeding 98%. The electrical conductivity of rare-earth-doped ceria…

Catalytic Processes in Materials ScienceAdvancements in Solid Oxide Fuel CellsCatalysis and Oxidation Reactions

New photoluminescent CuIN4 chromophores. Stabilisation of copper(I) by unconjugated diimines

Shubhamoy Chowdhury、Goutam Kumar Patra、Michael G. B. Drew 等 5 位作者2000-01-01Journal of the Chemical Society Dalton Transactions

Two new photoluminescent homoleptic distorted tetrahedral CuIN4 chromophores with CuII/I potentials of 0.66–0.81 V vs. SCE are isolated by using two unconjugated diimines (2∶1 condensates of R1R2CO and ethylenediamine; R1 = Ph, R2 = H; R1 = R2 = Ph) as ligands.

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryNanocluster Synthesis and Applications

Improvement of the synthesis of lutetium bisphthalocyanine using the Taguchi method

Margarita Linaje、Ma Cruz Quintanilla、Ana González 等 6 位作者2000-01-01The Analyst

In this work, a Taguchi experimental design has been used to identify important factors that influence the procedure of synthesis and purification of the lutetium bisphthalocyanine (LuPc2). The working conditions have been improved using an L8 (27) experimental design. A statistical analysis of the experimental data r…

Porphyrin and Phthalocyanine ChemistryAnalytical Chemistry and Sensors

Epitaxial ZnO Films Grown on Sapphire (001) by Ultraviolet-Assisted Pulsed Laser Deposition

V. Crăciun、R. K. Singh、J. Perrière 等 5 位作者2000-01-01Journal of The Electrochemical Society

ZnO thin films were grown on Si(100) and sapphire (001) substrates by an in situ ultraviolet‐assisted pulsed laser deposition technique. Using this technique, highly textured ZnO films were grown on Si substrates even at 100°C. Films grown on sapphire (001) at temperatures higher than 400°C, were found to be epitaxial…

ZnO doping and propertiesCopper-based nanomaterials and applicationsGa2O3 and related materials

Preparation of nanospherical amorphous zircon powders by a microemulsion-mediated process

Pedro Tartaj、Lutgard C. De Jonghe2000-01-01Journal of Materials Chemistry

A modified reverse micelle process has been developed for the synthesis of nanospherical amorphous zircon precursor powders. It has been found that the hydrolysis of a mixture of zirconium and silicon alkoxides within the water phase of a microemulsion can produce amorphous, nanospherical particles with a stoichiometr…

Ferroelectric and Piezoelectric MaterialsGlass properties and applicationsNuclear materials and radiation effects

Crystal supramolecularity: sixfold phenyl embraces between PPh3 ligands, forming extended nets in one-, two-, and three-dimensions

Ian Dance、M.L. Scudder2000-01-01Journal of the Chemical Society Dalton Transactions

The sixfold phenyl embrace (6PE) is manifest in the crystal structures of approximately 30% of the 5089 molecules with PPh3 ligands (in the Cambridge Structural Database). This paper describes the characteristics and occurrence of the 6PE as a crystal supramolecular motif between metal complexes and clusters with PPh3…

Organometallic Complex Synthesis and CatalysisCrystallography and molecular interactionsPorphyrin and Phthalocyanine Chemistry

Synthesis of hydrolytically stable low elastic modulus polyurethane-urea for biomedical applications

M. Jayabalan、P?P Lizymol、Vinoy Thomas2000-01-01Polymer International

Polyurethane-urea without ether linkages was synthesised using dicyclohexyl-methane diisocyanate (SMDI), hydroxy-terminated polybutadiene (HTPBD) and m-phenylenediamine (PDA). The hydrolytic stability of this polymer was investigated under in vitro conditions using Ringer's solution and phosphate-buffered saline, and…

Polymer composites and self-healingSynthetic Organic Chemistry MethodsCarbon dioxide utilization in catalysis

La[sub 0.6]Ba[sub 0.4]CoO[sub 3] as a Cathode Material for Solid Oxide Fuel Cells Using a BaCeO[sub 3] Electrolyte

Michihisa Koyama、Ching-ju Wen、Kôichi Yamada2000-01-01Journal of The Electrochemical Society

The cathodic reaction mechanism of a solid oxide fuel cell (SOFC) was investigated for an electrode‐electrolyte system of La 0.6 Ba 0.4 CoO 3 ( LBC ) ‐ BaCeO 3 , under both the O 2 − conducting and H + / O 2 − mixed‐ionic conducting conditions. AC impedance measurements were carried out, and the electrode interfacial…

Advancements in Solid Oxide Fuel CellsFuel Cells and Related MaterialsMagnetic and transport properties of perovskites and related materials

Transcriptional activation in chondrocytes submitted to hydrostatic pressure

Reijo Sironen、Mika A. Elo、Kai Kaarniranta 等 5 位作者2000-01-01Biorheology

At present, only a little is known about the transcriptional regulation in chondrocytes submitted to various physicomechanical factors known to exist in articular cartilage. Recently, we have investigated the effects of hydrostatic pressure on transcriptional control in chondrocytes using human chondrosarcoma and immo…

Osteoarthritis Treatment and MechanismsSilk-based biomaterials and applicationsthermodynamics and calorimetric analyses

Reactivity of various Ru/CeO2 catalysts during ozonation of succinic acid aqueous solutions

Nathalie Karpel Vel Leitner、Florence Delanoë、Benito Acedo 等 4 位作者2000-01-01New Journal of Chemistry

Ozonation of aqueous solutions of succinic acid ([SA]0=1 mM) was studied in the presence of ruthenium (2%) deposited on cerium dioxide catalysts. The influence of ruthenium, of the catalyst preparation mode (impregnation or exchange), of the support pretreatment, of the surface area and of the final treatment of the c…

Catalytic Processes in Materials ScienceAdvanced oxidation water treatmentRadioactive element chemistry and processing

Study of the [CaM(C3H2O4)2(H2O)4]·nH2O [M = Mn, Fe or Co (n = 0) and Ni (n = 2)] systems: synthesis, structure, spectroscopic and magnetic properties

Izaskun Gil de Muro、Maite Insausti、Luís Lezama 等 6 位作者2000-01-01Journal of the Chemical Society Dalton Transactions

The [CaM(mal)2(H2O)4] (M = Mn, Fe or Co; mal = C3H2O4) and [CaNi(mal)2(H2O)4]·2H2O compounds have been synthesized and characterized. X-Ray single crystal diffraction analysis was carried out on the [CaMn(C3H2O4)2(H2O)4] and [CaNi(C3H2O4)2(H2O)4]·2H2O complexes. The [CaM(C3H2O4)2(H2O)4] (M = Fe or Co) compounds are co…

Magnetism in coordination complexesCrystal Structures and PropertiesX-ray Diffraction in Crystallography

Restructuring of mesoporous silica: high quality large crystal MCM‐41 via a seeded recrystallisation route

Robert Mokaya、Wuzong Zhou、William Jones2000-01-01Journal of Materials Chemistry

Post-synthesis recrystallisation of calcined small crystallite MCM-41 has been used to prepare highly ordered large crystallite MCM-41 materials in a two step synthesis route. The calcined small crystallite `primary' MCM-41, obtained from the first step, is used as the `silica source' in an otherwise normal secondary…

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisLayered Double Hydroxides Synthesis and Applications

Biaxial self-reinforcement of isotactic polypropylene prepared in uniaxial oscillating stress field by injection molding. I. Processing conditions and mechanical properties

Limin Chen、Kaizhi Shen2000-01-01Journal of Applied Polymer Science

This research explores the longitudinal and latitudinal mechanical properties of injection-molded isotactic polypropylene (iPP) prepared in a uniaxial oscillating stress field by oscillating packing injection molding (OPIM). The methods, processing conditions, and mechanical test results for iPP by conventional inject…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesPolymer Foaming and Composites