Objective The main purpose of this proposal is the theoretical investigation of salt adsorption process at the interface of water/hydrophobic substrates taking into account impurities, dissolved gases using thermodynamically consistent force fields for ions by molecular dynamics methods. Most hydrophobic polymer materials without any functional and reactive surface groups develops a substantial negative charge at the interface of water-hydrophobic substrate. Source of this excess charge is not determined yet while the effect is enormous for electrically driven flows, in the context of electrical energy conversion, and it lies at the heart of many electrochemical and electrokinetic processes. Despite intensive theoretical and experimental efforts during past decades, this remarkable effect is still far from complete understanding. Molecular dynamics studies of water/hydrophobic substrate interfaces using atomistic force fields are challenging and can provide important information about structure and dynamics of the environment and shed light of interface phenomena. The proposed research aims to provide novel insight into structure and dynamics of water/vapor, water/hydrophobic substrate interfaces and provide a strong base for an investigations of ion transport through biochannels, and help elucidate the mechanisms by which these biochannels function. Fields of science natural scienceschemical sciencespolymer sciencesengineering and technologyenvironmental engineeringenergy and fuelsenergy conversion Programme(s) FP7-PEOPLE - Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013) Topic(s) FP7-PEOPLE-2009-IIF - Marie Curie Action: "International Incoming Fellowships" Call for proposal FP7-PEOPLE-2009-IIF See other projects for this call Funding Scheme MC-IIF - International Incoming Fellowships (IIF) Coordinator FREIE UNIVERSITAET BERLIN EU contribution € 216 782,00 Address Kaiserswerther strasse 16-18 14195 Berlin Germany See on map Region Berlin Berlin Berlin Activity type Higher or Secondary Education Establishments Administrative Contact Tanja Binder (Ms.) Links Contact the organisation Opens in new window Website Opens in new window Total cost No data Participants (1) Sort alphabetically Sort by EU Contribution Expand all Collapse all TECHNISCHE UNIVERSITAET MUENCHEN Participation ended Germany EU contribution No data Address Arcisstrasse 21 80333 Muenchen See on map Region Bayern Oberbayern München, Kreisfreie Stadt Activity type Higher or Secondary Education Establishments Administrative Contact Ulrike Ronchetti (Mrs.) Links Contact the organisation Opens in new window Website Opens in new window Total cost No data