Application of molecular simulations: Insight into liquid bridging and jetting phenomena

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F44555601%3A13440%2F15%3A43886638" target="_blank" >RIV/44555601:13440/15:43886638 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/67985858:_____/15:00473039

Výsledek na webu

<a href="http://dx.doi.org/10.5488/CMP.18.13602" target="_blank" >http://dx.doi.org/10.5488/CMP.18.13602</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.5488/CMP.18.13602" target="_blank" >10.5488/CMP.18.13602</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Application of molecular simulations: Insight into liquid bridging and jetting phenomena

Popis výsledku v původním jazyce

Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural response to the field. Several simulation methodologies have been used to elucidate the molecular mechanisms of the processes leading to the formation of liquid bridges and jets (in the production of nanofibers). It is shown that in the established nanoscale structures,the molecules form a chain with their dipole moments oriented parallel to the applied field throughout the entire sample volume. The presence of ions may disturb this structure leading to its ultimate disintegration into droplets; the concentration dependence of the threshold field required to stabilize a liquid column has been determined. Conformational changes of the polymer in the jetting process have also been observed.

Název v anglickém jazyce

Application of molecular simulations: Insight into liquid bridging and jetting phenomena

Popis výsledku anglicky

Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural response to the field. Several simulation methodologies have been used to elucidate the molecular mechanisms of the processes leading to the formation of liquid bridges and jets (in the production of nanofibers). It is shown that in the established nanoscale structures,the molecules form a chain with their dipole moments oriented parallel to the applied field throughout the entire sample volume. The presence of ions may disturb this structure leading to its ultimate disintegration into droplets; the concentration dependence of the threshold field required to stabilize a liquid column has been determined. Conformational changes of the polymer in the jetting process have also been observed.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/GAP208%2F12%2F0105" target="_blank" >GAP208/12/0105: ROZTOKY POLYMERŮ VE VNĚJŠÍM POLI: MOLEKULÁRNÍ POCHOPENÍ ELEKTROSPINNINGU</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2015

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Condensed Matter Physics

ISSN

1607-324X

e-ISSN

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Svazek periodika

18

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

UA - Ukrajina

Počet stran výsledku

10

Strana od-do

13602-13612

Kód UT WoS článku

000352673000009

EID výsledku v databázi Scopus

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