Functional group contributions to partial molar compressibilities of alcohols in water

Article Abstract:

An evaluation of additive functional group contributions for excess compressibilities of n-alcohols in water uses recently developed methodology.

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Structural and dynamical origins of ionic mobilities in supercritical water

Article Abstract:

The simulations of the infinite-dilution ionic mobility of Na(super +) and Cl(super -) are carried out in supercritical water at 673 K and at a series of solvent densities. The results show that with decreasing solvent density there is an increasing imbalance of ion-water and water-water interactions.

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Molecular differences between hydrocarbon and fluorocarbon surfactants at the Co(sub 2)/water interface

Article Abstract:

Computer simulations of a dichain fluorinated phosphate surfactant are presented. It is shown that the poor performance of hydrocarbon surfactants is caused by their inability to effectively separate the water and Co(sub 2) phases from each other.

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