Search results for "melting temperature"

showing 8 items of 18 documents

Heating ofAl13−andAl14clusters

2001

Dynamical properties of ${\mathrm{Al}}_{13}^{\ensuremath{-}}$ and ${\mathrm{Al}}_{14}$ clusters at a high-temperature regime are studied using a density functional theory based first-principles simulations method. During the heating ${\mathrm{Al}}_{13}^{\ensuremath{-}}$ shows a significantly different behavior than ${\mathrm{Al}}_{14}$ due to its double-magic nature. We also demonstrate that it is hard to assign any distinct melting transition for the studied cluster sizes. For ${\mathrm{Al}}_{13}^{\ensuremath{-}}$ we observe a solidlike behavior well after the melting temperature of bulk aluminum. In contradiction with the rare gas clusters we notice that the outermost atom of icosahedral …

PhysicsRare gasCondensed matter physicsIcosahedral symmetryMelting temperatureAtomCluster (physics)Density functional theoryElectronic structureSpectral linePhysical Review B
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Coarse Graining of Short Polythylene Chains for Studying Polymer Crystallization.

2015

We derive coarse-grained models of polyethylene in the melt state with the aim to study polymer crystallization. This requires a low level of coarse-graining:  We use a mapping of two CH2 groups onto one bead. The coarse-grained beads are connected with harmonic springs, an optimized angular potential, and an optional torsional potential. Coarse-grained potentials are derived from detailed all-atom simulations, and an optimized form of the force field is then derived which achieves a good accuracy in reproducing the static properties of the chains. We address the question over which temperature range such models can be used, and in particular if the model is capable of reproducing the phase…

Quantitative Biology::BiomoleculesPhase transitionMaterials scienceCrystallization of polymersMelting temperaturePolyethyleneAtmospheric temperature rangeForce field (chemistry)Computer Science ApplicationsCondensed Matter::Soft Condensed Matterchemistry.chemical_compoundchemistryChemical physicsGranularityPhysical and Theoretical ChemistryTorsional potentialJournal of chemical theory and computation
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Enhanced Thermal Stability of Gold and Silver Nanorods by Thin Surface Layers

2007

Using in situ transmission electron microscopy, we find that a carbon shell governs the morphological transitions of gold and silver nanorods upon heating. Encapsulated Ag nanorods show a surprising nonuniform sublimation behavior starting from one side and leaving behind the shell. Uncovered gold nanorods transform their shape to spheres well below the bulk melting temperature through surface diffusion, which is prevented by a thin carbon shell.

Surface diffusionMaterials scienceMelting temperatureNanotechnologySurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIn situ transmission electron microscopyGeneral EnergyChemical engineeringSPHERESThermal stabilitySublimation (phase transition)NanorodPhysical and Theoretical ChemistrySilver nanorodsThe Journal of Physical Chemistry C
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Characterization of a fiber-reinforced new fully aromatic liquid crystalline polymer

1998

A new rigid liquid crystalline polymer that demonstrates good mechanical and thermomechanical properties and acceptable processing temperature has been recently synthesized and characterized. The melting temperature and some thermomechanical properties do not seem, however, suitable for use in some applications at high temperature or in the presence of aggressive fluids. The use of appropriate inorganic fillers can overcome these shortcomings. In this work the new LCP, polymerized in a bench-scale apparatus, and the same sample filled with carbon fibers are characterized. The properties of the carbon fiber filled LCP are compared with those of another filled wholly aromatic commercial LCP,…

chemistry.chemical_classificationFiller (packaging)Materials scienceCarbon fiber reinforced plastics Composition effects Creep Glass fiber reinforced plastics Thermal effects Semirigid liquid crystalline polymersThermomechanical properties Liquid crystal polymersLiquid crystallineMelting temperature02 engineering and technologyPolymer021001 nanoscience & nanotechnologyCondensed Matter PhysicsCharacterization (materials science)020303 mechanical engineering & transportsSettore ING-IND/22 - Scienza E Tecnologia Dei Materiali0203 mechanical engineeringchemistryPolymerizationThermalCeramics and CompositesA fibersComposite material0210 nano-technology
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Melt spinning and mechanical properties of semirigid liquid-crystal copolyesters

1993

Melt-spinning and mechanical properties of fibers of a new class of semirigid thermotropic liquid-crystal polymers are presented. These copolyesters are synthesized from 4-4′-dihydroxybiphenyl (B), 4-hydroxybenzoic acid (H), and flexible units provided by aliphatic diacids. The flexible units depress the melting temperature without strongly depressing the mechanical properties. These liquid-crystal polymers can be easily spun at high draw ratios. Indeed, unlike rigid liquid-crystal polymers, relatively high draw ratios are needed to attain high mechanical strength. Tensile moduli of about 28 GPa and tensile strengths of about 350 MPa are obtained. © 1993 John Wiley & Sons, Inc.

chemistry.chemical_classificationMaterials sciencePolymers and PlasticsMelting temperaturePolymerCondensed Matter PhysicsThermotropic crystalchemistryLiquid crystalUltimate tensile strengthMechanical strengthMaterials ChemistryPhysical and Theoretical ChemistryComposite materialMelt spinningJournal of Polymer Science Part B: Polymer Physics
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1,2,4-Triazoles. Improved synthesis of 5-substituted 4-amino-3-mer-cato-(4H)-1,2,4-triazoles and a facile route to 3,6-disubstituted 1,2,4-triazolo[3…

1997

The reaction of thiocarbohydrazide with carboxylic acids at the melting temperature allows an improved preparation of the S-substituted 4-amino-3-mercapto-1,2,4-triazole heterocycles. The crude 4-amino-5-mercapto-1,2,4-triazoles react easily with carboxylic acids or carboxylic acid chlorides to afford the 1,2,4-triazolo[3,4-fc][1,3,4]thiadiazole ring system.

chemistry.chemical_classificationThiocarbohydrazidechemistry.chemical_compoundThiadiazoleschemistryMelting temperatureCarboxylic acidOrganic ChemistryRing (chemistry)Medicinal chemistryJournal of Heterocyclic Chemistry
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Fraktionierte Fällung von Lösungen von p-Kresol-Formaldehyd-Harzen

1951

Die Moglichkeit der Fraktionierung von p-Kresol-Formaldehyd-Harzen in organischen Losungsmitteln durch Zugabe von organischen Fallungsmitteln wird durch die mittlere Schmelztemperatur der Harz-Fraktionen, deren Elementaranalyse und durch ihr Viskositatsverhalten belegt. Die /c-Funktionen zeigen Minima, die bei Polyacrylsaure und desaminierten Eiweisen schon beobachtet wurden, aber unseres Wissens bei Phenolharzen noch unbekannt sind. Es werden ferner Angaben gemacht uber die Acetylierung, den Umsatz mit Phenylisocyanat zu Urethanen und die Methylierung mit Diazomethan. Auch die Untersuchung der Acetylderivate und Urethane zeigi. das die Fraktionierung aus organischen Losungsmitteln gelingt.…

chemistry.chemical_compoundchemistryMelting temperaturePolymer chemistryFractionationPhenylisocyanateDie Makromolekulare Chemie
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Reduction of saturated fat in chocolate by using sunflower oil-hydroxypropyl methylcellulose based oleogels

2021

The suitability of sunflower oil-hydroxypropyl methylcellulose (HPMC) based oleogel obtained by emulsion template approach as partial cocoa butter (CB) replacer in chocolates was investigated. A level of 50% CB replacement was optimum, as higher level of replacement affected the sensory appearance in comparison to the control chocolate (without added oleogel). Four levels of HPMC (0.5, 1, 1.5 and 2%) were considered. Textural and calorimetric properties, as well as sensory properties obtained by Free Choice Profile of the formulated chocolates were investigated. Partial replacement of CB by the sunflower-HPMC based oleogel reduced significantly the chocolate hardness. Higher HPMC concentrat…

food.ingredientGeneral Chemical EngineeringMelting temperatureSaturated fatFlavour01 natural sciencesSensory analysis0404 agricultural biotechnologyfood0103 physical sciencesCocoa butter replacerFood scienceChocolatePhysical properties010304 chemical physicsChemistrySunflower oilHydroxypropyl methylcellulose04 agricultural and veterinary sciencesGeneral ChemistrySensory analysis040401 food scienceSunflowerOleogelEmulsionFood Science
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