Ionic Force Fields for Electrolytes: Molecular Simulations, Chemical Potentials and Solubilities.

0456786 - ÚCHP 2016 CH eng C - Conference Paper (international conference)
Nezbeda, Ivo - Moučka, F. - Smith, W.R.
Ionic Force Fields for Electrolytes: Molecular Simulations, Chemical Potentials and Solubilities.
Book of Abstracts. Ozarow Mazowiecki: Nobell Compressing sp. z o.o, 2015 - (Kosinsky, K.; Urbanczyk, M.; Žerko, S.). ISBN N.
[CECAM Workshop Atomistic Simulations in Earth Sciences. Paris (FR), 17.06.2015-19.06.2015]
R&D Projects: GA ČR GA15-19542S
Institutional support: RVO:67985858
Keywords : simulation * ionic force fields * aqueous electrolytes
Subject RIV: CF - Physical ; Theoretical Chemistry
http://www.cecam.org/workshop-4-1185.html?presentation_id=14049

Aqueous electrolytes are ubiquitous in environmental, biological, and industrial systems. In addition to experimental data on their properties it has become common nowadays to study and predict their behavior by molecular simulations using various force fields (FF), i.e., intermolecular interaction models with specific parameters obtained by fitting the selected properties to experimental data.
Permanent Link: http://hdl.handle.net/11104/0257261