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Density Functional Study on the Adsorption of Pyrazole onto Silver Colloidal Particles

Gianni Cardini、Maurizio Muniz‐Miranda2002-06-12The Journal of Physical Chemistry B

The adsorption of pyrazole onto silver colloids has been investigated by surface-enhanced Raman scattering (SERS) experiments for normal and deuterated ligand and by ab initio density functional theory (DFT) calculations performed for surface complex models. The best agreement between observed and calculated frequenci…

Gold and Silver Nanoparticles Synthesis and Applicationsnanoparticles nucleation surface interactionsSurface and Thin Film Phenomena

Dissolution Kinetics, Step and Surface Morphology of Magnesite (104) Surfaces in Acidic Aqueous Solution at 60 °C by Atomic Force Microscopy under Defined Hydrodynamic Conditions

Steven R. Higgins、Lawrence H. Boram、Carrick M. Eggleston 等 6 位作者2002-06-12The Journal of Physical Chemistry B

Dissolution of the (104) surface of magnesite (MgCO 3 ) was studied as a function of bulk solution pH over the range 2.0 < pH < 5.0 at 60 °C using atomic force microscopy (AFM) with well-defined hydrodynamics. The experimental data and corresponding solution of the convective-diffusion equation for the system revealed…

Calcium Carbonate Crystallization and InhibitionMinerals Flotation and Separation TechniquesIron oxide chemistry and applications

Exciton Dynamics in a One-Dimensional Self-Assembling Lyotropic Discotic Liquid Crystal

Rhian E. Hughes、Simon P. Hart、D. A. Smith 等 6 位作者2002-06-12The Journal of Physical Chemistry B

The steady state and time resolved phophysical properties of a novel self-assembling lyotropic discotic liquid crystal, 2,3,6,7,10,11-hexa-(1,4,7-trioxaoctyl)-triphenylene (TP6EO2M) are reported. The spectral changes that accompany the formation of linear aggregates in D2O provide no evidence of excited-state delocali…

Liquid Crystal Research AdvancementsSpectroscopy and Quantum Chemical StudiesNonlinear Dynamics and Pattern Formation

Silica reinforcement of synthetic diene rubbers by sol–gel process in the latex

Kazumasa Yoshikai、Tetsuro Ohsaki、Mutsuhisa Furukawa2002-06-12Journal of Applied Polymer Science

Abstract Styrene–butadiene rubber (SBR) and nitrile rubber (NBR) were reinforced with silica by the sol–gel method of tetraethoxysilane (TEOS) in latex. The sol–gel reaction proceeded in the mixture of latex, TEOS, water, and a catalyst. The compound that involved silica was crosslinked with the curing agent at 150°C.…

Polymer Nanocomposites and PropertiesPolymer composites and self-healingSilicone and Siloxane Chemistry

Synthesis and properties of high oil‐absorbent 4‐tert‐butylstyrene‐EPDM‐divinylbenzene graft terpolymer

Mei Hua Zhou、Won‐Jei Cho2002-06-12Journal of Applied Polymer Science

Abstract The graft crosslinking polymerization of 4‐ tert ‐butylstyrene (tBS) and divinylbenzene (DVB) onto ethylene–propylene–diene (EPDM) was carried out in toluene by using benzoyl peroxide (BPO) as an initiator. The synthesized graft terpolymer, tBS‐EPDM‐DVB (PBED), was extracted with tetrahydrofuran (THF) into ge…

Surface Modification and SuperhydrophobicityPolymer Nanocomposites and PropertiesPolymer composites and self-healing

Symmetry-Breaking Phenomena in Metalloporphyrin π-Cation Radicals

Torgil R. Vangberg、Renate Lie、Abhik Ghosh2002-06-12Journal of the American Chemical Society

Density functional theory (DFT) calculations of the energetics, molecular structures, and spin density profiles of metalloporphyrin pi-cation radicals suggest that the common practice of describing these radicals in terms of a universal A(1u)/A(2u) dichotomy is often not justified, confirming a possibility first fores…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesMetal-Catalyzed Oxygenation Mechanisms

Foam drainage: A film contribution?

Vincent Carrier、S. Destouesse、Annie Colin2002-06-12Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

We have measured the steady drainage of foams of various surfactants, varying the size of the parietal plateau borders from 0.24 to 2.4 mm. We report an evolution of the power laws of drainage with the bubble size, which cannot be explained by the most recent developments of the drainage theory. We believe that one re…

Enhanced Oil Recovery TechniquesPolymer composites and self-healingPickering emulsions and particle stabilization

Donnan Permselectivity in Layer-by-Layer Self-Assembled Redox Polyelectrolye Thin Films

Ernesto J. Calvo、Alejandro Wolosiuk2002-06-12Journal of the American Chemical Society

Redox polyelectrolyte multilayers have been assembled with use of the layer-by-layer (LBL) deposition technique with cationic poly(allylamine) modified with Os(bpy)(2)ClPyCHO (PAH-Os) and anionic poly(styrene)sulfonate (PSS) or poly(vinyl)sulfonate (PVS). Different behavior has been observed in the formal redox potent…

Conducting polymers and applicationsPolymer Surface Interaction StudiesMolecular Junctions and Nanostructures

Crystalline Orientation in Syndiotactic Polystyrene Cast Films

Paola Rizzo、Marina Lamberti、Alexandra R. Albunia 等 5 位作者2002-06-12Macromolecules

The kind and degree of crystalline phase orientation for clathrate s-PS films, obtained by solution-casting procedures, and for semicrystalline films, obtained by suitable treatments on these cast films, are analyzed. Clathrate as well as nanoporous form films can present high degrees of uniplanar orientation, corresp…

Corrosion Behavior and InhibitionCopper Interconnects and ReliabilityAnodic Oxide Films and Nanostructures

Do Nonplanar Distortions of Porphyrins Bring about Strongly Red-Shifted Electronic Spectra? Controversy, Consensus, New Developments, and Relevance to Chelatases

Hege Ryeng、Abhik Ghosh2002-06-12Journal of the American Chemical Society

TDDFT calculations confirm a controversial proposal by DiMagno and co-workers that ruffling distortions, by themselves, do not bring about sizable red shifts in the electronic absorption spectra of "simple" nontransition-metal porphyrins. We now report that the same also holds for saddling distortions. The situation i…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Exciplex Intermediates in Photoinduced Electron Transfer of Porphyrin−Fullerene Dyads

Tero Kesti、Nikolai V. Tkachenko、Visa Vehmanen 等 7 位作者2002-06-12Journal of the American Chemical Society

The photoinduced electron transfer in differently linked zinc porphyrin-fullerene dyads and their free-base porphyrin analogues was studied in polar and nonpolar solvents with femto- to nanosecond absorption and emission spectroscopies. A new intermediate state, different from the locally excited (LE) chromophores and…

Porphyrin and Phthalocyanine ChemistryFullerene Chemistry and ApplicationsPhotochemistry and Electron Transfer Studies

Structural and Mechanistic Investigations of the Oxidation of Dimethylplatinum(II) Complexes by Dioxygen

Vsevolod V. Rostovtsev、Lawrence M. Henling、Jay A. Labinger 等 4 位作者2002-06-12Inorganic Chemistry

The oxidation of (tmeda)Pt(II)(CH(3))(2) (1, tmeda = N,N,N',N'-tetramethylethylenediamine) to (tmeda)Pt(IV)(OH)(OCH(3))(CH(3))(2) (3) by dioxygen in methanol proceeds via a two-step mechanism. The initial reaction between (tmeda)Pt(CH(3))(2) and dioxygen yields a hydroperoxoplatinum(IV) intermediate, (tmeda)Pt(OOH)(OC…

Polyoxometalates: Synthesis and ApplicationsMetal-Catalyzed Oxygenation MechanismsOxidative Organic Chemistry Reactions

New DNLS Equations for Anharmonic Vibrational Impurities

M. I. Molina2002-06-12arXiv

We examine some new DNLS-like equations that arise when considering strongly-coupled electron-vibration systems, where the local oscillator potential is anharmonic. In particular, we focus on a single, rather general nonlinear vibrational impurity and determine its bound state(s) and its dynamical selftrapping propert…

cond-mat.dis-nnMaterials Science

Failure time in the fiber-bundle model with thermal noise and disorder

Antonio Politi、Segio Ciliberto、Riccardo Scorretti2002-06-12arXiv

The average time for the onset of macroscopic fractures is analytically and numerically investigated in the fiber-bundle model with quenched disorder and thermal noise under a constant load. We find an implicit exact expression for the failure time in the low-temperature limit that is accurately confirmed by direct si…

cond-mat.dis-nnMaterials Sciencecond-mat.stat-mech

Photoluminescence of Tetragonal ZrO2 Nanoparticles Synthesized by Microwave Irradiation

Jiahe Liang、Zhaoxiang Deng、Xin Jiang 等 5 位作者2002-06-12Inorganic Chemistry

Polymer-stabilized tetragonal ZrO(2) nanopowders with average size of ca. 2.0 nm have been prepared by microwave heating in an aqueous solution containing Zr(NO(3))(4) x 5H(2)O, PVA, and NaOH. The photoluminescence of the synthesized ZrO(2) fine particles has been investigated.

Luminescence Properties of Advanced MaterialsCatalytic Processes in Materials ScienceMicrowave Dielectric Ceramics Synthesis

Proposal for in situ Enhancement of Electron Spin Polarization in Semiconductors

Harry Suhl2002-06-12arXiv

An extension of the original Overhauser effect to a more general nonequilibrium state was proposed by G. Feher, and demonstrated by Clark and Feher some forty years ago. It is suggested here that it might be possible to produce excess electron spin polarization by allowing the role of the nuclei to be played by other…

Materials Science

Surface Atomic Defect Structures and Growth of Gold Nanorods

Pratibha L. Gai、Mark A. Harmer2002-06-12Nano Letters

We present atomic and defect structural studies of technologically important gold nanorods synthesized by a wet chemical process. Our surface atomic structural studies and electron nanodiffraction from single nanorods have provided the first direct evidence of the stabilization of the highly unstable (110) surface by…

Gold and Silver Nanoparticles Synthesis and ApplicationsCopper-based nanomaterials and applicationsSurface and Thin Film Phenomena

Electronic Absorption, Resonance Raman, and Electrochemical Studies of Planar and Saddled Copper(III) meso-Triarylcorroles. Highly Substituent-Sensitive Soret Bands as a Distinctive Feature of High-Valent Transition Metal Corroles

Ingar H. Wasbotten、Tebikie Wondimagegn、Abhik Ghosh2002-06-12Journal of the American Chemical Society

We present here a first systematic study of substituent effects in metallocorroles, based on electronic absorption, resonance Raman (RR), and infrared (IR) spectroscopic studies and electrochemical measurements on 10 copper(III) meso-triarylcorroles, Cu(III)[beta-Y(8)TArC], where the beta-substituent Y = H or Br and t…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Applications of Weak Gel for In-Depth Profile Modification and Oil Displacement

W. Wang、Yaxing Gu、Y. Liu2002-06-11Canadian International Petroleum Conference

ABSTRACT With the development of waterflooding in an oil field, water breakthroughsare a common problem. Polymer solutions are widely applied to resolve thewater-channeling problem in a deep formation. In practice, polymers are used asagents in deep formation treatment either to block in-depth high permeabilityzones o…

Surface Modification and SuperhydrophobicityTribology and Lubrication EngineeringAdvanced Surface Polishing Techniques

Analytical Methods for Determining Residual Oil Saturation From Interwell Partitioning Tracer Tests

Jiawei Tang2002-06-11Canadian International Petroleum Conference

Abstract Interwell partitioning tracer test has been recognized as a reliable method for determining residual oil saturation Sorw between wells. While sophisticated streamline or finite difference simulators have been increasingly used to determine Sorw distribution from the tracer data, simple analytical methods such…

High voltage insulation and dielectric phenomena