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Confined thin films of linear and branched alkanes

By Marjolein Dijkstra


We report computer simulations in the Grand canonical ensemble of a system of several alkanes\ud between two solid surfaces. We computed the solvation force exerted by the fluid on the plates. The\ud solvation force for linear decane oscillates with distance with a periodicity close to the width of the\ud molecules. The branched alkanes ~2-methylundecane and 2-methylheptane! show a similar\ud oscillatory behavior, however the oscillations are decreased and are shifted to the attractive regime.\ud In addition, we computed the liquid-vapour equilibria by using Gibbs ensemble Monte-Carlo\ud simulations of n-pentane confined in a slit of 9, 13, 17 Å. The critical temperature of the\ud liquid-vapour coexistence shifts to lower temperatures upon confining. At a plate separation of 5 Å,\ud no liquid-vapour equilibrium is found

Topics: Natuur- en Sterrenkunde
Year: 1997
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