COLL 355 |
| Michael Grunze and Alexander Pertsin. Angewandte Physikalische Chemie, University of Heidelberg, INF 253, 69120 Heidelberg, Germany |
| The grand canonical ensemble Monte Carlo technique is used to simulate the behavior of water between graphite surfaces. It is shown that the structure and thermodynamics of the interfacial region are extremely sensitive to the range and orientation dependence of the water/graphite interaction potential. This casts doubt on the results of previous molecular dynamics simulations using orientation independent potentials and standard atomistic force fields. It is demonstrated that the water monolayer compressed between two parallel graphite surfaces does not experience capillary evaporation and offers only slight resistance to shear. This explains why water can serve as a lubricant in the friction of graphitic carbons. |
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Friction, Lubrication, and Adhesion in Micro- and Nano-Scale Devices
2:00 PM-5:10 PM, Tuesday, March 30, 2004 Marriott -- Orange County 5, Oral
Division of Colloid and Surface Chemistry |