Search results for "aqueous nanodroplet"

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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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