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Explicit and implicit modeling of nanobubbles in hydrophobic confinement Anais da ABC (AABC)
Dzubiella,Joachim.
Water at normal conditions is a fluid thermodynamically close to the liquid-vapor phase coexistence and features a large surface tension. This combination can lead to interesting capillary phenomena on microscopic scales. Explicit water molecular dynamics (MD) computer simulations of hydrophobic solutes, for instance, give evidence of capillary evaporation on nanometer scales, i.e., the formation of nanometer-sized vapor bubbles (nanobubbles) between confining hydrophobic surfaces. This phenomenon has been exemplified for solutes with varying complexity, e.g., paraffin plates, coarse-grained homopolymers, biological and solid-state channels, and atomistically resolved proteins. It has been argued that nanobubbles strongly impact interactions in nanofluidic...
Tipo: Info:eu-repo/semantics/article Palavras-chave: Solvation; Hydrophobicity; Nanobubbles; Implicit water model; Molecular dynamics simulations.
Ano: 2010 URL: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0001-37652010000100002
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