The structural and thermodynamic properties of liquid water and of the dilute solutions of methane and ethane in water were calculated by Monte Carlo simulations in the temperature range 298 K to 318 K and 298 K to 333 K, respectively...
Keywords: Hydrophobic Interactions, TIP5P, Chemical Potential, Water, Computer Simulation
03/2006 | Zeitschrift für Physikalische Chemie, Oldenbourg WissenschaftsverlagHydrophobic interactions of xenon atoms dissolved in liquid water were studied by NpT Monte Carlo simulations in the temperature range 298.15 to 333K and at ambient pressure...
Keywords: Xenon, Hydrophobic Interactions, Chemical Potential, Water, Monte Carlo Simulation
06/2007 | Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag