About: Insight into Electrospinning via Molecular Simulations

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Monte Carlo and molecular dynamics simulations on pure water and aqueous electrolyte solutions exposed to a strong external electric field were used to model the electrospinning process from the free liquid surface, with the goal of assessing their potential to gain insight into the molecular-level mechanisms underlying the process. Three regimes involved in the electrospinning process - the free liquid surface, the apex of the Taylor cone, and the erupting jet - were selected for simulation using three different strategies. All simulations provide the same qualitative picture and exhibit scenarios consistent with experimental observations. It is found that ions play only a rather secondary role, in the sense that the process is driven by the water molecules. The strong electric field near the tip of the Taylor cone initially arranges the water molecules, creating an embryo of a jet into which the ions subsequently enter. At high concentrations, the ions can destabilize the jet, leading to electrospraying. At low electrolyte concentration, the embryo grows, leading to a stable jet and potentially to generation of a meso-/macroscopic fiber. Monte Carlo and molecular dynamics simulations on pure water and aqueous electrolyte solutions exposed to a strong external electric field were used to model the electrospinning process from the free liquid surface, with the goal of assessing their potential to gain insight into the molecular-level mechanisms underlying the process. Three regimes involved in the electrospinning process - the free liquid surface, the apex of the Taylor cone, and the erupting jet - were selected for simulation using three different strategies. All simulations provide the same qualitative picture and exhibit scenarios consistent with experimental observations. It is found that ions play only a rather secondary role, in the sense that the process is driven by the water molecules. The strong electric field near the tip of the Taylor cone initially arranges the water molecules, creating an embryo of a jet into which the ions subsequently enter. At high concentrations, the ions can destabilize the jet, leading to electrospraying. At low electrolyte concentration, the embryo grows, leading to a stable jet and potentially to generation of a meso-/macroscopic fiber. (en)
Title	Insight into Electrospinning via Molecular Simulations Insight into Electrospinning via Molecular Simulations (en)
skos:prefLabel	Insight into Electrospinning via Molecular Simulations Insight into Electrospinning via Molecular Simulations (en)
skos:notation	RIV/44555601:13440/14:43885826!RIV15-GA0-13440___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(GAP208/12/0105)
http://linked.open...iv/cisloPeriodika	19
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Nezbeda, Ivo Jirsák, Jan Moučka, Filip
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Jana Evangelisty Purkyně v Ústí nad Labem / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	22040
http://linked.open...ai/riv/idVysledku	RIV/44555601:13440/14:43885826
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ions; fiber; plasma; polymer; evaporation; Nanodroplets; field; liquid water; dynamics simulations; Electrically forced jets (en)
http://linked.open.../riv/klicoveSlovo	ions dynamics simulations Electrically forced jets Nanodroplets plasma fiber liquid water field polymer evaporation
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[8C3B0E1A6235]
http://linked.open...i/riv/nazevZdroje	Industrial and Engineering Chemistry Research
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	POLYMER SOLUTIONS IN AN EXTERNAL FIELD: MOLECULAR UNDERSTANDING OF ELECTROSPINNING
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	53
http://linked.open...iv/tvurceVysledku	Nezbeda, Ivo Jirsák, Jan Moučka, Filip
http://linked.open...ain/vavai/riv/wos	000336078500049
issn	0888-5885
number of pages	8 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/ie404268f
http://localhost/t...ganizacniJednotka	13440

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