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The origin of excess charge at the water/hydrophobic interfaces (ExChargeHYD)

Date du début: 20 déc. 2013, Date de fin: 19 déc. 2014,

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 cha ...
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