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Self-consistent integral equation theory for polyolefins: Comparison to molecular dynamics simulations and x-ray scattering

Mathias Pütz、John G. Curro、Gary S. Grest2001-02-08The Journal of Chemical Physics

We report on self-consistent polymer reference interaction site model (PRISM) calculations as well as molecular dynamics (MD) simulations for several types of polyolefins. For all polymer types one single set of potential parameters was used. In general we find good semi-quantitative agreement between PRISM and MD res…

Material Dynamics and PropertiesAdvanced NMR Techniques and ApplicationsAdvanced Physical and Chemical Molecular Interactions

Structural and electrical properties of MoO3-TeO2glasses

Manisha Pal、K. Hirota、Y. Tsujigami 等 4 位作者2001-02-08Journal of Physics D Applied Physics

The dc conductivity of MoO 3 -TeO 2 glasses prepared by melt quenching has been investigated in the temperature range 323-473 K. Seebeck coefficient measurements indicate the glasses to be n-type. The conductivity increases with increase of MoO 3 content and at 418 K varies from about 6 × 10 -6 to 1 × 10 -8 S cm -1 .…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsPhase-change materials and chalcogenides

Isotropic−Nematic Phase Separation in Suspensions of Polydisperse Colloidal Platelets

F. M. van der Kooij、D. van der Beek、H. N. W. Lekkerkerker2001-02-08The Journal of Physical Chemistry B

We are studying the phase behavior of a suspension of platelike colloids which has a very broad size distribution, particularly in thickness. This suspension exhibits an isotropic−nematic phase separation over a notably wide range of particle concentrations, displaying a remarkable phenomenon. In part of the coexisten…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesSurfactants and Colloidal Systems

Crystallization, Melting, and Enzymatic Degradation of Biodegradable Poly(butylene succinate-co-14 mol ethylene succinate) Copolyester

Zhihua Gan、Hideki Abe、Yoshiharu Doi2001-02-08Biomacromolecules

The crystal structure and growth kinetics of melt-crystallized poly(butylene succinate-co-14 mol % ethylene succinate) [P(BS-co-14 mol % ES)] copolyester have been investigated at a wide crystallization temperature range of 30 to 90 degrees C. By means of wide-angle X-ray diffraction (WAXD), the copolyester composed o…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesMicroplastics and Plastic Pollution

Electrical Transport Properties of Single Crystal Sr3Ru2O7: The Possible Existence of an Antiferromagnetic Instability at Low Temperatures

Y. Liu、R. Jin、Z. Q. Mao 等 6 位作者2001-02-08arXiv

We report the results of Hall coefficient R_H and magnetoresistance (MR) measurements on single crystalline samples of Sr3Ru2O7 grown by the floating zone method. R_H was found to be positive over the entire temperature range studied (0.3 - 300K). Its temperature (T) dependence follows closely that of the magnetic sus…

Materials ScienceStrongly Correlated Electrons

Spin reorientation and magnetohistory of DyFe12-xNbxcompounds

Jianling Wang、Y. Shen、C.P. Yang 等 8 位作者2001-02-07Journal of Physics Condensed Matter

Structural and magnetic properties, especially the magnetocrystalline anisotropy of DyFe 12- x Nb x compounds with x = 0.55-0.85, have been investigated. The easy magnetization directions at room temperature for all the compounds are along the c -axis. With decreasing temperature the magnetocrystalline anisotropy chan…

Magnetic properties of thin filmsMagnetic Properties and ApplicationsMagnetic Properties of Alloys

Phase transitions of hydrogen in quasi-two-dimensional vanadium lattices

Stefan Olsson、P. Blomquist、Bjørgvin Hjörvarsson2001-02-07Journal of Physics Condensed Matter

The influence of the strain state on the thermodynamics of hydrogen in quasi-two-dimensional potentials is reported. The host lattice is V embedded in Fe in the form of a Fe/V(001) superlattice, which represents a strongly confined absorption potential extending over just 13 monolayers. Δ H and Δ H for the continuous…

Fusion materials and technologiesHydrogen Storage and MaterialsNuclear Materials and Properties

A study of the magnetocrystalline anisotropy of RFe11-xCoxTi compounds with R = Y and Er

J L Wang、Ning Tang、B. Fuquan 等 7 位作者2001-02-07Journal of Physics Condensed Matter

Structural and magnetic properties of the RFe 11- x Co x Ti compounds with R = Y and Er have been investigated. X-ray diffraction patterns and thermomagnetic curves show that all the synthesized compounds with x ranging from 0 to 11.0 are almost single phase and crystallize in the ThMn 12 -type structure. Substitution…

Magnetic properties of thin filmsRare-earth and actinide compoundsMagnetic Properties of Alloys

Modeling Alkali Atoms Deposition on TiO2 (110) Surface

Miguel A. San‐Miguel、Carmen J. Calzado、Javier Fdez. Sanz2001-02-07The Journal of Physical Chemistry B

A few studies of alkali atoms deposition on the (110)-rutile surface have been reported in the last years. The process involves a selective electron transfer from the alkali atoms to the surface penta-fold Ti atoms, and it has been well characterized by both experimental and theoretical techniques. However, the adsorp…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceElectronic and Structural Properties of Oxides

Photooxidations of phenol, cyclopentadiene and citronellol with photosensitizers ionically bound at a polymeric ion exchanger

Robert Gerdes、Oliver Bartels、G. Schneider 等 5 位作者2001-02-07Polymers for Advanced Technologies

Abstract Different metal tetrasulfophthalocyanines and rose bengal were employed as photosensitizers in the photooxidation of phenol, cyclopentadiene and (S)‐(−)‐citronellol. Ionically polymer bound photosensitizers were easily obtained by the reaction of negatively charged low‐molecular‐weight phthalocyanines with th…

TiO2 Photocatalysis and Solar CellsPorphyrin and Phthalocyanine ChemistryAnalytical Chemistry and Sensors

Spin-tripletf-wave-like pairing proposed for an organic superconductor(TMTSF)2PF6

Kazuhiko Kuroki、Ryotaro Arita、Hideo Aoki2001-02-07Physical review. B, Condensed matter

By examining how the spin- and/or charge-fluctuation exchange can contribute to pairing instabilities, we propose that a spin-triplet f-wave-like pairing with a d-vector perpendicular to the b-axis may be realized in $(\mathrm{TMTSF}{)}_{2}{\mathrm{PF}}_{6}$ due to (i) a quasi-one-dimensional Fermi surface, (ii) a coe…

Magnetism in coordination complexesAdvanced Condensed Matter PhysicsOrganic and Molecular Conductors Research

Millimeter-Wave Spectroscopy of the Organic Spin−Peierls System β‘-(ET)2SF5CF2SO3

B. H. Ward、Isaac Rutel、J. S. Brooks 等 6 位作者2001-02-07The Journal of Physical Chemistry B

The first purely organic BEDT-TTF spin−Peierls system, β‘-(ET) 2 SF 5 CF 2 SO 3, has been confirmed using a high-frequency electron paramagnetic resonance (EPR) cavity perturbation technique. The material exhibits the characteristics of a quasi-one-dimensional (1D) Heisenberg antiferromagnetic spin system above 30 K,…

Organometallic Complex Synthesis and CatalysisMagnetism in coordination complexesOrganic and Molecular Conductors Research

Application of a Trisiloxane Surfactant for Removal of Oils from Hydrophobic Surfaces

N. V. Churaev、А. П. Ершов、N. E. Esipova 等 6 位作者2001-02-07Langmuir

Rates of advancing and receding menisci motion, v, under applied pressure difference Δ P in thin methylated quartz capillaries were investigated for trisiloxane solution−gas and trisiloxane solution−silicone oil systems. Dynamic values of the tension of wetting were calculated from the v (Δ P ) dependence. Both dynami…

Surface Modification and SuperhydrophobicityFluid Dynamics and Heat TransferPickering emulsions and particle stabilization

Degradation and 5‐fluorouracil release behavior in vitro of polycaprolactone/poly(ethylene oxide)/polylactide tri‐component copolymer† 1

Shenguo Wang、Hongli Chen、Qing Cai 等 4 位作者2001-02-07Polymers for Advanced Technologies

Abstract The in vitro degradation behavior of the polyester/polyether copolymer based on polycaprolactone/poly(ethylene oxide)/polylactide (PCEL) significantly depends on the caproxyl (CL)/lactyl (LA) ratio for the same poly(ethylene oxide) (PEO) content. The PCEL copolymer with rich CL units shows the crystalline str…

biodegradable polymer synthesis and propertiesPolymer Nanocomposite Synthesis and IrradiationGraphene and Nanomaterials Applications

Rb4Hg5(Te2)2(Te3)2Te3, [Zn(en)3]4In16(Te2)4(Te3)Te22, and K2Cu2(Te2)(Te3): Novel Metal Polytellurides with Unusual Metal−Tellurium Coordination

Xuean Chen、Xiao‐Ying Huang、Jing Li2001-02-07Inorganic Chemistry

Three novel metal polytellurides Rb(4)Hg(5)(Te(2))(2)(Te(3))(2)Te(3) (I), [Zn(en)(3)](4)In(16)(Te(2))(4)(Te(3))Te(22) (II), and K(2)Cu(2)(Te(2))(Te(3)) (III) have been prepared by solvothermal reactions in superheated ethylenediamine at 160 degrees C. Their crystal structures have been determined by single-crystal X-r…

Synthesis and characterization of novel inorganic/organometallic compoundsCrystal Structures and PropertiesInorganic Chemistry and Materials

In-Situ FTIR Studies of Reactions at the Silicon/Liquid Interface: Wet Chemical Etching of Ultrathin SiO2 on Si(100)

K. T. Queeney、Hirokazu Fukidome、E. E. Chaban 等 4 位作者2001-02-07The Journal of Physical Chemistry B

We have developed an experimental setup to facilitate study of the surface reactions of single-crystal silicon with Fourier transform infrared (FTIR) spectroscopy in a variety of aqueous environments. Employing a short optical path length through the silicon sample allows access to the critical low-frequency region of…

Force Microscopy Techniques and ApplicationsSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

Compounds with Symmetrical Tricobalt Chains Wrapped by Dipyridylamide Ligands and Cyanide or Isothiocyanate Ions as Terminal Ligands

Rodolphe Clérac、F. Albert Cotton、S.P. Jeffery 等 5 位作者2001-02-07Inorganic Chemistry

Three new linear compounds of the type Co(3)(dpa)(4)X(2), where dpa is the anion of di(2-pyridyl)amine and X is NCS(-) (5), CN(-) (6), and N(CN)(2)(-) (7), have been prepared, and their structures and magnetic behavior have been studied. In all of them, including three different solvates of 5, the Co(3) chains are sym…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

The Superspreading Effect of Trisiloxane Surfactant Solutions

N. V. Churaev、N. E. Esipova、R. Hill 等 6 位作者2001-02-07Langmuir

The problem of superspreading has recently attracted much attention both from the theoretical point of view and because of the practical use of the phenomenon. However, up to now there is no general agreement about the mechanism of the effect and on the necessary conditions for its realization, in particular regarding…

Surface Modification and SuperhydrophobicityFluid Dynamics and Heat TransferFluid Dynamics and Thin Films

Tuning the Metal−Metal Bonds in the Linear Tricobalt Compound Co3(dpa)4Cl2: Bond-Stretch and Spin-State Isomers

Rodolphe Clérac、F. Albert Cotton、L.M. Daniels 等 6 位作者2001-02-07Inorganic Chemistry

Sixteen crystal structures have been determined for the Co3(dpa)(4)Cl2 (1) molecule in the following five crystalline solvates: 1.0.85(C2H5)(2)O.0.15CH2Cl2 (at 120, 213, 296 K); 1.C(4)H(8)O (at 120, 295 K); 1.C(6)H(6) (at 170, 213, 260, 316 K); 1.C(6)H(12) (at 120, 213, 295 K); and 1.1.75C(7)H(8).0.5C(6)H(14) (at 90,…

Organometallic Complex Synthesis and CatalysisMetal complexes synthesis and propertiesMagnetism in coordination complexes

Aggregation of Tetrakis( p -sulfonatophenyl)porphyrin within Modified Mesoporous MCM-41

Wei Xu、Haiquan Guo、Daniel L. Akins2001-02-07The Journal of Physical Chemistry B

We report the formation of monomeric and aggregated tetrakis( p -sulfonatophenyl)porphyrin encapsulated within an aluminosilicate mesostructure, specifically MCM-41, under different pH conditions. It was necessary to stabilize the synthesized MCM-41 through use of a silylation reagent, (aminopropyl)triethoxysilane, wh…

Mesoporous Materials and CatalysisPorphyrin and Phthalocyanine ChemistrySurface Chemistry and Catalysis