THE DEUTERIUM ISOTOPE EFFECT AND THE MOLECULAR DYNAMICS OF WATER IN BENZENE

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Abstract
Infrared spectra of H2O and D2O in benzene have been recorded and the solubilities of light and heavy water in benzene from 10 to 50 °C measured. Isotope fractionation factors for the distribution of HDO and H2O between the vapor and liquid benzene phases were calculated from the relative solubilities and the vapor pressure ratios of pure H2O and D2O. The isotope equilibrium data was fitted to the expression ln α = −A/T2 + B/T and interpreted by the Bigeleisen formulism. The intramolecular B term was determined from the solvent shifts of the near infrared frequencies and the intermolecular A term calculated by a least squares fit to the isotope equilibrium data. Spectral and equilibrium data were combined to give [Formula: see text].

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