The dynamics and statics of polar surfaces are governed by the hydrogen-bonding network and the interfacial water layer properties. Insight can be gained from all-atomistic simulations with explicit water that reach the experimentally relevant length and time scales. Two connected lines of work will be discussed:1) On surfaces, the friction coefficient of bound peptides on hydrophilic substrates are large. A general friction law is presented and describes the dynamics of hydrogen-bonded matter in the viscous limit. 2) The so-called hydration repulsion between polar surfaces in water is studied using a novelsimulation technique that allows to efficiently determine the interaction pressure at constant water chemical potential. The hydration repulsion is shown to be caused by a mixture of water polarization effects and the desorption of interfacial water.

Hydration effects at hydrogen-bonding surfaces

246th National Meeting (2013)

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