0473174 - ÚCHP 2020 RIV GB eng M - Část monografie knihy
Nezbeda, Ivo - Jirsák, J. - Moučka, F.
Molecular Modeling and Simulations.
Electrospun Nanofibers. Duxford: Elsevier, 2017 - (Afshari, M.), s. 255-275. Woodhead Publishing Series in Textiles, Volume 186. ISBN 978-0-08-100907-9
Institucionální podpora: RVO:67985858
Klíčová slova: electrospinning * fluid interfaces * fluids in electric field
Obor OECD: Physical chemistry
DOI: https://doi.org/10.1016/B978-0-08-100907-9.00011-8

This chapter reviews the application of standard molecular simulation techniques to the phenomenon of electrospinning. It provides a description of the basics of molecular simulations, with an emphasis on molecular dynamics, followed by an overview of specific considerations for electrospinning. The chapter also discusses the choice of simulation box arrangement, boundary conditions, and force fields, along with other technical details relevant to the molecular modeling of fluid interfaces in the presence of an electric field. We show selected applications and outline future perspectives.
Trvalý link: http://hdl.handle.net/11104/0270333