EXCHARGEHYD

The origin of excess charge at the water/hydrophobic interfaces

Coordinatore	FREIE UNIVERSITAET BERLIN    more  Organization address address: Kaiserswertherstrasse 16-18 city: BERLIN postcode: 14195 contact info Titolo: Ms. Nome: Tanja Cognome: Binder Email: send email Telefono: 493084000000 Fax: 493084000000
Nazionalità Coordinatore	Germany [DE]
Totale costo	216˙782 €
EC contributo	216˙782 €
Programma	FP7-PEOPLE Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
Code Call	FP7-PEOPLE-2009-IIF
Funding Scheme	MC-IIF
Anno di inizio	2010
Periodo (anno-mese-giorno)	2010-12-01   -   2012-11-30

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	FREIE UNIVERSITAET BERLIN  Organization address address: Kaiserswertherstrasse 16-18 city: BERLIN postcode: 14195 contact info Titolo: Ms. Nome: Tanja Cognome: Binder Email: send email Telefono: 493084000000 Fax: 493084000000	DE (BERLIN)	coordinator	216˙782.00
2	TECHNISCHE UNIVERSITAET MUENCHEN  Organization address address: Arcisstrasse 21 city: MUENCHEN postcode: 80333 contact info Titolo: Mrs. Nome: Ulrike Cognome: Ronchetti Email: send email Telefono: 498929000000	DE (MUENCHEN)	participant	0.00

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 Obiettivo del progetto (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.'