EXCHARGEHYD
The origin of excess charge at the water/hydrophobic interfaces
| Coordinatore | ION-PLAZMA VA LAZER TEXNOLOGIYALARI INSTITUTI - INSTITUTE OF ION-PLASMA AND LASER TECHNOLOGIES OF UZBEKISTAN ACADEMY OF SCIENCES IP<
Organization address
address: DORMON YOLY STREET 33 contact info |
| Nazionalità Coordinatore | Uzbekistan [UZ] |
| Totale costo | 15˙000 € |
| EC contributo | 15˙000 € |
| 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-IIFR |
| Anno di inizio | 2013 |
| Periodo (anno-mese-giorno) | 2013-12-20 - 2014-12-19 |
Partecipanti
| # | ||||
|---|---|---|---|---|
| 1 |
ION-PLAZMA VA LAZER TEXNOLOGIYALARI INSTITUTI - INSTITUTE OF ION-PLASMA AND LASER TECHNOLOGIES OF UZBEKISTAN ACADEMY OF SCIENCES IP<
Organization address
address: DORMON YOLY STREET 33 contact info |
UZ (TASHKENT) | coordinator | 15˙000.00 |
| 2 |
O'ZBEKISTON RESPUBLIKASI FANLAR AKADEMIYASI ISSIQLIK FIZIKASI BO'LIMI
Organization address
address: KATARTAL STREET 28 CHILANZAR C contact info |
UZ (TASHKENT) | participant | 15˙000.00 |
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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.'
Introduzione (Teaser)
EU scientists have used mathematical modelling and computer simulations to better understand how salts behave at the interface between water and hydrophobic substances like oils.
Descrizione progetto (Article)
Many hydrophobic materials develop a negative charge where they are in contact with water. Despite this property being useful and widely observed, scientists cannot yet explain it.
To try and understand why this happens, the EU funded the EXCHARGEHYD (The origin of excess charge at the water/hydrophobic interfaces) project. Researchers aimed to model the behaviour of salts at this interface to better understand the cause of the negative charge.
Using sophisticated computer software, EXCHARGEHYD modelled the forces found in different soluble charged chemicals (dissolved salts with negative charges). The behaviour of these molecules was simulated within a common mathematical model of water behaviour called the simple point charge-extended model.
Researchers tried to apply the results obtained for one molecule (sodium sulphate) to a wider range of molecules, without success. They showed that a scaling factor was needed to account for the different sized atoms.
The work of EXCHARGEHYD will advance the field of molecular dynamics and shed light on a current mystery in physical chemistry. Ultimately, the work will improve simulated chemical behaviour experiments for chemists everywhere.