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Application of Molecular Simulations: Insight into Liquid Bridging and Jetting Phenomena.
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SYSNO ASEP 0473039 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Application of Molecular Simulations: Insight into Liquid Bridging and Jetting Phenomena. Author(s) Nezbeda, Ivo (UCHP-M) RID, ORCID, SAI
Jirsák, J. (CZ)
Moučka, F. (CZ)
Smith, W.R. (CA)Source Title Condensed Matter Physics - ISSN 1607-324X
Roč. 18, č. 1 (2015), s. 13602Number of pages 10 s. Language eng - English Country UA - Ukraine Keywords aqueous solution surfaces ; floating liquid bridge ; aqueous solution surfaces Subject RIV CF - Physical ; Theoretical Chemistry Institutional support UCHP-M - RVO:67985858 UT WOS 000352673000009 EID SCOPUS 84930259926 DOI 10.5488/CMP.18.13602 Annotation 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. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2017
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