Monte Carlo calculations have been performed on the structural and thermodynamic characteristics of liquid acetone at 298 K and 1 atm in the four-center approximation, with additivity for the intermolecular potentials. Calculations have also been performed on the structural and energy characteristics for the Na+-acetone system by means of two types of potential for the ion-solvent interaction. The calculated values are discussed and are compared with experiment.
MONTE-CARLO CALCULATIONS ON STRUCTURAL AND THERMODYNAMIC CHARACTERISTICS FOR ACETONE AND THE NA+-ACETONE SYSTEM AT 298-K
FOIS, ETTORE SILVESTRO;GAMBA, ALDO;
1989-01-01
Abstract
Monte Carlo calculations have been performed on the structural and thermodynamic characteristics of liquid acetone at 298 K and 1 atm in the four-center approximation, with additivity for the intermolecular potentials. Calculations have also been performed on the structural and energy characteristics for the Na+-acetone system by means of two types of potential for the ion-solvent interaction. The calculated values are discussed and are compared with experiment.
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