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Molecular Simulations of Electrokinetics Phenomena at Solid-Liquid Interface
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SYSNO ASEP 0327951 Document Type C - Proceedings Paper (int. conf.) R&D Document Type Conference Paper Title Molecular Simulations of Electrokinetics Phenomena at Solid-Liquid Interface Title Molekulární simulace elektrokinetických jevů na rozhraní pevná látka - kapalina Author(s) Předota, Milan (UCHP-M) RID, ORCID, SAI
Wesolowski, D.J. (US)
Cummings, P.T. (US)Source Title Books of Abstracts. - Santiago de Compostela : University of Santiago de Compostela, 2009 / Arce A. ; Soto A. - ISBN 978-84-692-2664-3 Pages s. 16-17 Number of pages 2 s. Publication form CD-ROM - CD-ROM Action European Symposium on Applied Thermdynamics ESAT 2009 /24./ Event date 27.06.2009-01.07.2009 VEvent location Santiago de Compostela Country ES - Spain Event type WRD Language eng - English Country ES - Spain Keywords molecular dynamics simulations ; electrokinetics phenomena ; equilibrium Subject RIV CF - Physical ; Theoretical Chemistry CEZ AV0Z40720504 - UCHP-M (2005-2011) Annotation We will present the rsults of our equilibrium and non-equilibrium molecular dynamics simulations focusing on the molecular level origin of electrokinetics phenomena - electroosmosis and electrophoresis. We will comment the asymmetry of the density profiles of cations and anions at positive and negative surfaces, discuss the properties of the diffuse and shear lyaers, if definable at all on the molecular scale, and present our zeta potential predictions from molecular simulations. Our results of zeta potential are in qualitative agreement with experimental data. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2010
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