Non-equilibrium molecular dynamics simulation of the thermocapillary effect

We report on extended computer simulations of the thermocapillary effect in a model liquid biphasic mixture by employing a nonequilibrium molecular dynamics (NEMD) technique. It maintains a constant temperature gradient in the simulated system. We discuss the methodology used and report, after a car...

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Veröffentlicht in:	Canadian journal of chemical engineering 2012-08, Vol.90 (4), p.833-842
Hauptverfasser:	Maier, Holger A., Bopp, Philippe A., Hampe, Manfred J.
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied sciences Chemical engineering Exact sciences and technology fluid mechanics modelling and simulation studies multi-phase systems multi‐phase systems, fluid mechanics statistical mechanics and phase transitions statistical theory transport processes
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