Density functional theory and demixing of binary hard rod-polymer mixtures

A density functional theory for a mixture of hard rods and polymers modeled as chains built of hard tangent spheres is proposed by combining the functional due to Yu and Wu for the polymer mixtures [J. Chem. Phys. {\bf 117}, 2368 (2002)] with the Schmidt's functional [Phys. Rev. E {\bf 63}, 50201 (2001)] for rod-sphere mixtures. As a simple application of the functional, the demixing transition into polymer-rich and rod-rich phases is examined. When the chain length increases, the phase boundary broadens and the critical packing fraction decreases. The shift of the critical point of a demixing transition is most noticeable for short chains.Comment: 4 pages,2 figures, in press, PR

Vapour-liquid equilibria in the carbon dioxide-water system, measurement and modelling from 278.2 to 318.2K

International audienceNew experimental VLE data of CO2-water binary system are reported over a wide temperature range from 278.2 to 318.2 K and pressures up to 8 MPa. A static-analytic apparatus, taking advantage of two pneumatic capillary samplers. is used. The experimental solubility data generated in this work are in very good agreement with previous data reported in the literature.Three different models have been used to represent the new experimental VLE data. The first thermodynamic model is based on a dissymmetric approach with the Peng-Robinson equation of state including classical mixing rules for the vapour phase and a Heary's law treatment of the aqueous phase. The second and third thermodynamic models belong to phi-phi approaches: the second model uses the Peng-Robinson equation of state combined with the Wong-Sandler/Huron-Vidal mixing rules, and the third model the SAFT-VR equation of state based on a variable range square-well potential. (C) 2004 Elsevier B.V. All rights reserved

Experimental measurements and thermodynamic modelling of aqueous solubilities, octanol-water partition coefficients and vapor pressures of dimethyl phthalate and butyl benzyl phthalate

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