Search results for "reverse micelle"

showing 10 items of 26 documents

Structure, stability, and fragmentation of sodium bis(2-ethylhexyl)sulfosuccinate negatively charged aggregates in vacuo by MD simulations.

2014

Negatively charged supramolecular aggregates formed in vacuo by n bis(2-ethylhexyl)sulfosuccinate (AOT(-)) anions and n + n(c) sodium counterions (i.e., [AOT(n) Na(n+nc)](nc)) have been investigated by molecular dynamics (MD) simulations for n = 1 to 20 and n(c) = -1 to -5. By comparing the maximum excess charge values of negatively and positively charged AOTNa aggregates, it is found that the charge storage capability is higher for the latter systems, the difference decreasing as the aggregation number increases. Statistical analysis of physical properties like gyration radii and moment of inertia tensors of aggregates provides detailed information on their structural properties. Even for …

SodiumSupramolecular chemistryMolecular Conformationchemistry.chemical_elementFragmentation patternsMolecular Dynamics SimulationAOTNa Self-assembling Charged reverse micelles Molecular dynamics simulation (MD) Supramolecular aggregates in vacuo Fragmentation patternsMicelleMolecular dynamicsSurface-Active AgentsPulmonary surfactantStructural BiologyAotNa; self-assembling; charged revrse micelle; Molecular Dynamics simulations; Supramolecular aggregates in vacuo; Fragmentation patternsSpectroscopyAlkylMicellesSettore CHIM/02 - Chimica Fisicachemistry.chemical_classificationIonsDioctyl Sulfosuccinic AcidAggregation numberAotNacharged revrse micelleself-assemblingSupramolecular aggregates in vacuoCrystallographychemistryThermodynamicsMolecular Dynamics simulationsCounterionJournal of the American Society for Mass Spectrometry
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Surfactant self-assembly in the gas phase: Bis(2-ethylhexyl)sulfosuccinate- alkaline metal ion aggregates

2008

Molecular dynamics (MD) simulations were conducted for systems in vacuo consisting of n AOT anions (bis(2-ethylhexyl)sulfosuccinate ions) and n 1 or n Na+ ions up to n = 20. For n = 15, positively charged systems with Li+, K+, and Cs+ cations were also considered. All systems were observed to form reverse micelle-like aggregates whose centre is occupied by cations and polar heads in a very compact solid-like way, while globally the aggregate has the form of an elongated and rather flat ellipsoid. Various types of statistical analyses were carried out on the systems to enlighten structural and dynamical properties including gyration radius, atomic pair correlation functions, atomic B-factor …

Spectrometry Mass Electrospray IonizationREVERSE MICELLESElectrospray ionizationInorganic chemistrySupramolecular chemistrySalt (chemistry)LithiumMass SpectrometryIonSurface-Active AgentsPulmonary surfactantMaterials ChemistryWATERPhysical and Theoretical ChemistryAlkylchemistry.chemical_classificationChemistrySodiumSuccinatesAlkali metalSurfaces Coatings and FilmsSolutionsNANOCRYSTALSMetalsMESOSTRUCTURED FLUIDSGasesSelf-assembly
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Physicochemical Investigation of the Solubilization of Ytterbium Nitrate in AOT Reverse Micelles and Liquid Crystals

2006

A wide investigation of the solubilization of the water-soluble salt Yb(NO3)(3) in sodium bis(2-ethylhexyl)sulfosuccinate (AOT) reverse micelles and AOT liquid crystals has been carried out. After saturation of water/AOT/organic solvent w/o microemulsions with pure Yb(NO3)(3), the Yb(NO3)(3)/AOT composites were prepared by complete evaporation under vacuum of the volatile components (water and organic solvent) of the salt-containing microemulsions. It was observed that these composites can be totally dissolved in pure n-heptane or CCl4, allowing the solubilization of a noticeable amount of Yb(NO3)(3) in quite dry apolar media. By UV-vis-NIR, FT-IR, and H-1 NMR spectroscopies, some informati…

YtterbiumPolymers and PlasticsSmall-angle X-ray scatteringytterbium nitrateAOT reverse micelleInorganic chemistryAnalytical chemistrychemistry.chemical_elementMicelleColloid and Surface ChemistrychemistryPulmonary surfactantLiquid crystalMaterials ChemistryProton NMRionic clustersconfinement effectMicroemulsionPhysical and Theoretical ChemistrySaturation (chemistry)solubilization
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Synthesis of Yb nanoparticles by laser ablation of ytterbium target in sodium bis(2-ethylhexyl)sulfosuccinate reverse micellar solution

2010

Abstract Surfactant-coated ytterbium nanoparticles were produced by Nd:YAG laser ablation of a Yb bulk target immersed in sodium bis(2-ethylhexyl)sulfosuccinate (AOT)/ n -heptane micellar solution. In our experimental conditions, as highlighted by IR spectroscopy, AOT molecules are not decomposed by the intense laser pulses but play a pivotal role in the stabilisation of Yb nanoparticles. The formation of Yb nanoparticles in the liquid phase was monitored by UV–Vis spectroscopy whereas the Yb/AOT composites obtained by evaporation of the organic solvent were characterised by XPS and TEM. Data analysis consistently shows the presence of surfactant-coated, nearly spherical and non-interacting…

YtterbiumRaman spectroscopy Plasmons corrosion inhibitionLaser ablationMaterials scienceMechanical EngineeringAnalytical chemistryInfrared spectroscopyNanoparticlechemistry.chemical_elementCondensed Matter PhysicsLaser ablation synthesis in solutionLaser ablationNanomaterialsAdsorptionNanomaterials Laser ablation Reverse micelles Surfactant YtterbiumchemistryX-ray photoelectron spectroscopyMechanics of MaterialsSurfactantGeneral Materials ScienceYtterbiumNanomaterialsReverse micelles
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Effects of the net charge on abundance and stability of supramolecular surfactant aggregates in gas phase

2011

Self-assembling of amphiphilic molecules under electrospray ionization (ESI) conditions is characterized by quite unexpected phenomenology. The noticeable differences with respect to the condensed phase are attributable to the absence of the surfactant-solvent interactions, the presence of net charge in the aggregates, and the strong deviation from equilibrium conditions. Aiming to investigate the effects of the net charge on abundance and stability of supramolecular surfactant aggregates, positively and negatively charged aggregates of sodium bis(2-ethylhexyl)sulfosuccinate (AOT) and sodium methane sulfonate (MetS), butane sulfonate (ButS) and octane sulfonate (OctS) have been studied by E…

anhydrous reverse micellechemistry.chemical_classificationself-assembling; anhydrous reverse micelles; electrospray ionization; energy-resolved mass spectrometry; DFT calculationsChemistryElectrospray ionizationenergy-resolved mass spectrometryelectrospray ionizationSupramolecular chemistryAnalytical chemistryMethane sulfonateDFT calculationsPhotochemistryMass spectrometryself-assemblingchemistry.chemical_compoundSulfonatePhase (matter)SpectroscopyAlkylOctane
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Molecular dynamics of electrosprayed water nanodroplets containing sodium bis(2-ethylhexyl)sulfosuccinate

2013

The behavior of aqueous solutions of sodium bis(2-ethylhexyl)sulfosuccinate (AOTNa) subject to electrospray ionization (ESI) has been investigated by molecular dynamics (MD) simulations at three temperatures (350, 500 and 800 K). We consider several types of water nanodroplets containing AOTNa molecules and composed of a fixed number of water molecules (1000), N(AOT)(0) AOT(-) anions (N(AOT)(0) =  0, 5, 10) and N(Na)(0) sodium ions (N(Na)(0) =  0, 5, 10, 15, 20): in a short time scale (less than 1 ns), the AOTNa molecules, initially forming direct micelles in the interior of the water nanodroplets, are observed in all cases to diffuse nearby the nanodroplet surface, so that the hydrophilic …

aqueous nanodropletsDioctyl Sulfosuccinic AcidSpectrometry Mass Electrospray Ionizationaqueous nanodropletelectrospray ionizationWaterAOTNa; electrospray ionization; aqueous nanodroplets; charged reversemicelle-like aggregates;molecular dynamics simulationAOTNaelectrospray ionizationaqueous nanodropletscharged reverse micelle-like aggregatesmolecular dynamics simulationcharged reverse micelle-like aggregatescharged reversemicelle-like aggregatemolecular dynamics simulationAOTNaNanoparticlesParticle SizeMicellesSettore CHIM/02 - Chimica Fisica
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FT-IR investigation of the state of iron (III) chloride clusters confined in AOT reverse micelles dispersed in carbon tetrachloride

2007

The state of the water-soluble salt iron(III) chloride in AOT reverse micelles dispersed in carbon tetrachloride has been investigated by FT-IR spectroscopy. Interestingly, while the entrapment of a lot of water-soluble inorganic salts in AOT reverse micelles requires preliminarily the presence of significant amounts of water within the micellar core, solubilization of FeCl3 occurs without the need to add water in the micellar solution reaching the very high solubility value, expressed as the maximum salt-to-surfactant molar ratio, of 1.30. The analysis of the spectral features of the investigated samples leads to hypothesize that iron(III) chloride is confined within the reverse micellar c…

chemistry.chemical_classificationChemistryInorganic chemistryIonic bondingGeneral ChemistryConductivityCondensed Matter PhysicsBiochemistryChlorideMicelleCrystallographychemistry.chemical_compoundmedicineGeneral Materials ScienceSolubilization Confinement effects Ferric chloride AOT reverse micelles Ionic clustersCounterionSolubilitySpectroscopyIron(III) chloridemedicine.drug
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Physico-chemical investigation of nanostructures in liquid phases: Nickel chloride ionic clusters confined in sodium bis(2-ethylhexyl) sulfosuccinate…

2009

The confinement of finite amounts of nickel chloride in the hydrophilic core of sodium bis(2-ethylhexyl) sulfosuccinate (AOT) reverse micelles dispersed in n-heptane has been investigated by FT-IR, UV-vis-NIR and fluorescence spectroscopies. The analysis of experimental data consistently leads to hypothesize that NiCl(2) forms small size ionic clusters stabilized by a monolayer of oriented surfactant molecules. Due to confinement and interfacial effects, these ionic clusters show peculiar photophysical properties, which are different from those possessed by the bulk material. From NiCl(2)/AOT/n-heptane solutions, by evaporation of the organic solvent, interesting salt/surfactant nanocomposi…

chemistry.chemical_classificationChemistrySodiumInorganic chemistrychemistry.chemical_elementSalt (chemistry)ChlorideMicelleSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsBiomaterialsNickelColloid and Surface ChemistryPulmonary surfactantMonolayermedicineMoleculereverse micelles nanoparticlesmedicine.drugJournal of Colloid and Interface Science
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Chiroptical Phenomena in Reverse Micelles: The Case of (1R,2S)- Dodecyl (2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium Bromide (DMEB)

2014

(1R,2S)-Dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB) aggregates dispersed in carbon tetrachloride have been investigated by Fourier transform infrared (FT-IR), vibrational circular dichroism (VCD) and 1H nuclear magnetic resonance (NMR) spectroscopy at various surfactant concentration and water-to-surfactant molar ratio. Experimental data indicate that, even at the lowest investigated concentration and in absence of added water, DMEBmolecules associate in supramolecular assemblies. At higherDMEBconcentration the aggregates can confine watermolecules,making it plausible to think thatDMEB form reverse micelles and that watermolecules are quite uniformly distributed…

confinement effects2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB)reverse micellegenetic structures(1RPGSE-NMR(1R; 2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB) reverse micelles confinement effects hydrogen bonding vibrational circular dichroism (VCD) PGSE-NMR(1R2S)-dodecyl(2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB)confinement effectreverse micellesvibrational circular dichroism (VCD)hydrogen bondingSettore CHIM/02 - Chimica Fisica
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Confinement of L and D dimethyl tartrate in reverse micelles: an FT-IR and VCD study

2008

confinement dimethyl tartrate reverse micelles
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