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Interfacial tension behavior of binary and ternary mixtures of partially miscible Lennard-Jones fluids: A molecular dynamics simulation

Enrique Dı́az-Herrera、José Alejandre、Guillermo Ramı́rez-Santiago 等 4 位作者1999-04-22The Journal of Chemical Physics

By means of extensive equilibrium molecular dynamics simulations we have investigated the behavior of the interfacial tension γ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced temperature T*=kBT/ε in the range 0.6⩽T*⩽3.0. We find that, unlike the monotonic decay obta…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesTheoretical and Computational Physics

Polysulfide Anions. 1. Structure and Vibrational Spectra of the S22- and S32- Anions. Influence of the Cations on Bond Length and Angle

Omar El Jaroudi、Éric Picquenard、A. Demortier 等 5 位作者1999-04-22Inorganic Chemistry

In a comprehensive study of the M 2 S n and M‘S n alkali (M) and alkaline-earth (M‘) polysulfides, the alkali polysulfides K 2 S 2, Na 2 S 3 ·NH 3, and K 2 S 3 have been prepared by reaction of the metal with sulfur in liquid ammonia and subsequent heat treatments. Their Raman spectra have been analyzed in relation to…

Glass properties and applicationsSolid-state spectroscopy and crystallographyThermal and Kinetic Analysis

Revisiting the Effect of Surface Chemistry on Adsorption of Water on Activated Carbons

Issa I. Salame、Andrey Bagreev、Teresa J. Bandosz1999-04-22The Journal of Physical Chemistry B

A sample of Westvaco carbon was oxidized with ammonium persulfate and both initial and oxidized samples were washed with methanol. The samples were characterized using sorption of nitrogen, Boehm titration, potentiometric titration, IGC, FTIR, TPD, and thermal analysis. Then water adsorption isotherms were measured at…

Carbon Nanotubes in CompositesElectrochemical Analysis and ApplicationsAdvanced Chemical Sensor Technologies

A New, Crystalline High Melting Bis(hydroxymethyl)polycarbonate and Its Acetone Ketal for Biomaterial Applications

E. J. Vandenberg、Dong Tian1999-04-22Macromolecules

Hydroxypolycarbonates (HPC) offer to the biomedical area hydroxyl functional polymers not now readily available to bind drugs, proteins, or carbohydrate polymers chemically or via hydrogen bonding to facilitate drug delivery and utility with subsequent biodegradibility to acceptable byproducts. The cyclic carbonate (…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysis

Synthesis and Characterization of Micrometer-Sized Poly(3,4-ethylenedioxythiophene)-Coated Polystyrene Latexes

M. Anwar H. Khan、Steven P. Armes1999-04-22Langmuir

A 1.8 μm diameter poly( N -vinylpyrrolidone)-stabilized polystyrene (PS) latex has been coated with poly(3,4-ethylenedioxythiophene) [PEDOT], an organic conducting polymer which exhibits good environmental stability. Despite its limited solubility, EDOT was successfully polymerized in aqueous solution using iron(III)…

Advanced Sensor and Energy Harvesting MaterialsConducting polymers and applicationsAnalytical Chemistry and Sensors

Microforces and the Theory of Solute Transport

Eliot Fried、Shaun Sellers1999-04-22arXiv

A generalized continuum framework for the theory of solute transport in fluids is proposed and systematically developed. This framework rests on the introduction of a generic force balance for the solute, a balance distinct from the macroscopic momentum balance associated with the mixture. Special forms of such a forc…

Materials ScienceSoft Condensed Matter

Correlation between Phase Behavior and Tensile Properties of Diblock Copolymers

Roland Weidisch、Manfred Stamm、Dirk W. Schubert 等 6 位作者1999-04-21Macromolecules

The phase behavior of poly(styrene- b -butyl methacrylate), PS- b -PBMA, diblock copolymers was investigated by small-angle neutron scattering (SANS), neutron reflectometry (NR), and rheology. For a symmetrical P(dS- b -nBMA) diblock copolymer a lower critical order transition (LCOT) at 155 °C was found by SANS and rh…

Advanced Polymer Synthesis and CharacterizationRheology and Fluid Dynamics StudiesBlock Copolymer Self-Assembly

Excluded Volume Effects in Polymer Solutions. 1. Dilute Solution Properties of Linear Chains in Good and ϑ Solvents

Ryan C. Hayward、William W. Graessley1999-04-21Macromolecules

Data from the literature on four dilute solution properties radius of gyration, second virial coefficient, intrinsic viscosity, and diffusion coefficient were analyzed for linear flexible-chain polymers of several species in both thermodynamically good solvents and ϑ solvents. Each property was expressed as an effecti…

Material Dynamics and PropertiesRheology and Fluid Dynamics StudiesAdvanced Physical and Chemical Molecular Interactions

Distribution Effect of the Second Phase in Disperse Silica/X Oxides (X = Al2O3, TiO2, GeO2) on Their Surface Properties

В.М. Гунько、V.I. Zarko、В.В. Туров 等 5 位作者1999-04-21Langmuir

Highly disperse oxides X/SiO 2 (synthesized by using high-temperature hydrolysis of a SiCl 4 and MCl n (M = Al, Ti) blend or chemical vapor deposition (CVD) technique for preparation of CVD-X (X = TiO 2, GeO 2 ) on a fumed silica substrate) were studied by means of 1 H NMR, one-pass temperature-programmed desorption t…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisCatalysis and Oxidation Reactions

Inhibition and Deactivation Effects in Catalytic Wet Oxidation of High-Strength Alcohol-Distillery Liquors

Khaled Belkacemi、Faı̈çal Larachi、Safia Hamoudi 等 5 位作者1999-04-21Industrial & Engineering Chemistry Research

The removal efficiency of total organic carbon (TOC) from raw high-strength alcohol-distillery waste liquors was evaluated using three different treatments: thermolysis (T), noncatalytic wet oxidation (WO), and solid-catalyzed wet oxidation (CWO). The distillery liquors (TOC = 22 500 mg/L, sugars = 18 000 mg/L, and pr…

Catalytic Processes in Materials ScienceAdvanced oxidation water treatmentAdvanced Glycation End Products research

Adsorption and Encapsulation of Fluorescent Probes in Nanoparticles

О. В. Макарова、Agnes Ostafin、Hirokazu Miyoshi 等 5 位作者1999-04-21The Journal of Physical Chemistry B

Silica “nanobubbles” are hollow spheres of silica that can be used as nanometer-sized containers for probe molecules. A method for the encapsulation of a fluorescent molecule into silica “nanobubbles” is reported. Fluorescein isothiocyanate (FITC) dye molecules were coadsorbed onto the surface of gold nanoparticles wi…

Gold and Silver Nanoparticles Synthesis and ApplicationsPolymer Surface Interaction StudiesMinerals Flotation and Separation Techniques

Optimized local modes for lattice dynamical applications

Jorge Iniguez、Alberto Garcia、J. M. Perez-Mato1999-04-21arXiv

We present a new scheme for the construction of highly localized lattice Wannier functions. The approach is based on a heuristic criterion for localization and takes the symmetry constraints into account from the start. We compare the local modes thus obtained with those generated by other schemes and find that they a…

Materials Science

Double photo-ionization of He near a polarizable surface

G. Goldoni1999-04-21arXiv

We calculate the differential cross-section of the direct double photo-ionization of He physisorbed on a polarizable surface. By including the influence of the surface potential in the correlated two-electron final state wavefunction, we show that the differential cross-section carries detailed information on the elec…

Materials Science

Prediction of Room Temperature High Thermoelectric Performance in n-type La(Ru,Rh)4Sb12

Marco Fornari、David J. Singh1999-04-21arXiv

First principles calculations are used to investigate the band structure and the transport related properties of unfilled and filled 4d skutterudite antimonides. The calculations show that, while RhSb3 and p-type La(Rh,Ru)4Sb12 are unfavorable for thermoelectric application, n-type La(Rh,Ru)4Sb12 is very likely a high…

Materials Science

Expanding the Pore Size of MCM-41 Silicas: Use of Amines as Expanders in Direct Synthesis and Postsynthesis Procedures

Abdelhamid Sayari、Yong Yang、Michał Kruk 等 4 位作者1999-04-21The Journal of Physical Chemistry B

New opportunities are discussed for the pore-size engineering of mesoporous silicas using amines as swelling agents. It was shown that N, N -dimethylhexadecylamine (DMHA) is a convenient expander allowing for the synthesis of large-pore MCM-41 in mild conditions. Their pore size increased and the structural ordering d…

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

Characterization of the Network Structure of Carbodiimide Cross-Linked Gelatin Gels

A. Kuijpers、G.H.M. Engbers、Jan Feijén 等 9 位作者1999-04-21Macromolecules

The network structure of native and carbodiimide cross-linked gelatin A and B gels was studied based on their rheological behavior. Gelatin A and B contain different numbers of carboxylic acid groups caused by different preparation conditions and had previously shown different characteristics in controlled release app…

Hydrogels: synthesis, properties, applicationsbiodegradable polymer synthesis and propertiesCollagen: Extraction and Characterization

Morphology Development and Control in Immiscible Polymer Blends

Christopher W. Macosko1999-04-20Seikei-Kakou

Most immiscible polymer blends are produced by melt compounding in extruders. The melting and mixing process can generate morphologies ranging from disperse drops to fibers to lamella to cocontinuous structures. Controlling these morphologies is critical to performance of the final blend. This paper reviews recent res…

Polymer crystallization and propertiesAdvanced Polymer Synthesis and CharacterizationRheology and Fluid Dynamics Studies

Models for Conjugated Metal Acetylide Polymers: Ruthenium Oligothienylacetylide Complexes

Yongbao Zhu、Dylan B. Millet、Michael O. Wolf 等 4 位作者1999-04-20Organometallics

The series of ruthenium(II) mono(oligothienylacetylide) complexes trans -Ru(dppm) 2 (Cl)(C⋮CR) (dppm = Ph 2 PCH 2 PPh 2; R = 2-thienyl ( 1a ), 5-(2,2‘-bithienyl) ( 1b ), and 5-(2,2‘:5‘,2‘ ‘-terthienyl) ( 1c )) and bis(oligothienylacetylide) complexes trans -Ru(dppm) 2 (C⋮CR) 2 (R = 2-thienyl ( 2a ), 5-(2,2‘-bithienyl)…

Metal complexes synthesis and propertiesConducting polymers and applicationsElectrochemical Analysis and Applications

Formation of Single-Wall Carbon Nanotubes: Comparison of CO2 Laser Ablation and Nd:YAG Laser Ablation

Masako Yudasaka、F. Kokai、Kunimitsu Takahashi 等 7 位作者1999-04-20The Journal of Physical Chemistry B

Investigating the formation of single-wall carbon nanotubes (SWNTs) from a target composed of graphite, Ni, and Co, we compared the use of a pulsed CO 2 laser (pulse width of 20 ms, laser-power density of 0.1 MW/cm 2 ) with the use of a pulsed Nd:YAG laser (pulse width of 5−7 ns, laser-power density of 4 GW/cm 2 ). Wh…

Carbon Nanotubes in CompositesDiamond and Carbon-based Materials ResearchFullerene Chemistry and Applications

Structure of lysozyme dissolved in neat organic solvents as assessed by NMR and CD spectroscopies

Tatyana Knubovets、John J. Osterhout、Alexander M. Klibanov1999-04-20Biotechnology and Bioengineering

The structure of the model protein hen egg-white lysozyme dissolved in water and in five neat organic solvents (ethylene glycol, methanol, dimethylsulfoxide (DMSO), formamide, and dimethylformamide (DMF)) has been examined by means of 1H NMR and circular dichroism (CD) spectroscopies. The NMR spectra of lysozyme revea…

Protein Structure and DynamicsEnzyme Structure and FunctionProtein Interaction Studies and Fluorescence Analysis