Abstract
The effect of varying concentrations of cholesterol on the static properties of a hexadecane monolayer and on the diffusion rate of oxygen across the monolayer has been studied by using a novel application of nonequilibrium molecular dynamics. The results show an increased ordering of the hexadecane chains in the region of the monolayer near the added cholesterol with a general increase in monolayer thickness with increasing concentration of cholesterol. The calculation of the diffusion coefficients from the work required to pull oxygen through the monolayer by using a forcing potential suggests an enhanced diffusion rate of oxygen with added cholesterol and a decrease in the diffusion coefficient at higher cholesterol concentrations.
Original language | English |
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Pages (from-to) | 10497-10506 |
Number of pages | 10 |
Journal | Journal of Physical Chemistry |
Volume | 96 |
Issue number | 25 |
DOIs | |
State | Published - 1992 |