Interactions of carbon dioxide with liquid fluorocarbons

Article Abstract:

The structural details of the liquid fluorocarbon and hydrocarbon phases and the role of electrostatics in the interactions of CO2 with those liquids are presented. This analysis permits the molecular interpretation of the experimental fact that the fluorocarbon solvents always dissolve larger amounts of a particular gas than the equivalent hydrogencarbons, but fails to explain the differences between the solubility of oxygen and carbon dioxide in a fluorinated liquid.

All Other Basic Organic Chemical Manufacturing, Industrial Organic Chemicals, Fluorocarbons, Chemical reactions

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Configurational properties and corresponding states in simple fluids and water

Article Abstract:

Configurational contributions were assessed for six simple fluids including water and the Leonard-Jones model fluid. The resulting calculations were compared and restructured at equal reduced densities from the triple point to the gas-liquid critical temperature. The figures were then applied to the van der Waals model for purposes of illustration and to demonstrate that such model suggests a corresponding state principle for configurational properties.

Surface chemistry, Phase diagrams

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Liquid structure via cavity size distributions

Article Abstract:

A new algorithm for determining cavity size distribution by energetic means was developed. Molecular dynamic simulations of carbon dioxide diffusion in two isomeric polymides confirm that diffusion is faster in the isomer with the larger average cavity size.

Molecular dynamics, Isomerism, Isomers (Chemistry)

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