Integral equation study of microstructure and solvation in model attractive and repulsive supercritical mixtures

Tom, Jean W.; Debenedetti, Pablo G.

doi:10.1021/ie00021a038

Cited by 48 publications

(68 citation statements)

References 24 publications

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“…More recently, solute-solute and solute-cosolvent clustering has been observed in SCFs (see Eckert and Knutson, 1993;Kazarian et al, 1993;Tom and Debenedetti, 1993;Chialvo and Debenedetti, 1992;and Brennecke, 1993 and references therein). The presence of solute-solute clusters might be expected to influence the rates of some bimolecular reactions, but they will not influence the rates of diffusion-controlled reactions (Randolph et al, 1994).…”

Section: Fundamentalsmentioning

confidence: 99%

Reactions at supercritical conditions: Applications and fundamentals

et al. 1995

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Section: Fundamentalsmentioning

confidence: 99%

Reactions at supercritical conditions: Applications and fundamentals

et al. 1995

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“…Simulation and integral equation calculations have used simplified, spherical symmetric potentials (for example Lennard-Jones mixtures) to study supercritical systems [46]. The results represent ideals of molecular interactions which do not capture all of the structural and dynamics effects associated with the complex molecules in supercritical fluids.…”

Section: Solute Solubilitymentioning

confidence: 99%

Thermodynamic Aspects of Supercritical Fluids Processing: Applications of Polymers and Wastes Treatment

Cansell

Rey

Beslin

1998

Rev. Inst. Fr. Pét.

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La mise en Ïuvre des fluides supercritiques est d'un intŽr•t croissant dans de nombreux domaines : pour la sŽparation (sŽparation et purification en pŽtrochimie, industrie alimentaire) et la chromatographie par fluides supercritiques (sŽparation analytique et prŽ-paratoire, dŽtermination des propriŽtŽs physicochimiques), comme milieux rŽactifs aux propriŽtŽs continžment ajustables allant du gaz au liquide (polyŽthyl•ne de faible densitŽ, Žlimination des dŽchets, recyclage des polym•res), en gŽologie et en minŽralogie (volcanologie, Žnergie gŽothermique, synth•se hydrothermique), dans la formation des particules, fibres et substrats (produits pharmaceutiques, explosifs, rev•tements), pour le sŽchage des matŽriaux (gels).Cet article prŽsente les propriŽtŽs physicochimiques exceptionnelles des fluides supercritiques en rapport avec leurs applications en ingŽnierie. Apr•s un bref rappel des concepts fondamentaux relatifs au comportement critique des fluides purs, nous dŽvelop-pons d'une mani•re plus dŽtaillŽe les propriŽtŽs physicochimiques ajustables des fluides dans le domaine supercritique. La deuxi•me partie de lÕarticle dŽcrit les applications en ingŽnierie des fluides supercritiques relatives aux rŽactions chimiques et au traitement des polym•res. Chaque prŽsentation d'application est divisŽe en deux parties : la premi•re rappelle les concepts de base et le contexte gŽnŽral ainsi que les propriŽtŽs physicochimiques, la seconde dŽveloppe les applications en ingŽnierie se rapportant au domaine concernŽ. THERMODYNAMIC ASPECTS OF SUPERCRITICAL FLUIDS PROCESSING: APPLICATIONS TO POLYMERS AND WASTES TREATMENTSupercritical fluid processes are of increasing interest for many fields: in supercritical fluid separation (petroleum-chemistry separation and purification, food industry) and supercritical fluid chromatography (analytical and preparative separation, determination of physicochemical properties); as reaction media with continuously adjustable properties from gas to liquid (lowdensity polyethylene, waste destruction, polymer recycling); in This paper presents the unusual physicochemical properties of supercritical fluids in relation to their engineering applications. After a short report of fundamental concepts of critical behavior in pure fluids, we develop in more details the tunable physicochemical properties of fluid in the supercritical domain. The second part of this paper describes the engineering applications of supercritical fluids relevant of chemical reactions and polymer processing. Each application presentation is divided in two parts: the first one recalls the basic concepts including general background, physicochemical properties and the second one develops the engineering applications relevant of the advocated domain. ASPECTOS TERMODINçMICOS DEL TRATAMIENTO DE LOS FLUIDOS SUPERCRêTICOS : APLICACIONES PARA LOS TRATAMIENTOS DE LOS POLêMEROS Y DE LOS RESIDUOSLa implementaci-n de los fluidos supercr'ticos presenta un interŽs cada vez mayor en numerosos campos : para la separaci-n (separaci-n y purific...

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“…The relative excess fraction of particles i surrounding a central solute molecule, fie;', has been identified as a relevant variable to establish the existence of critical clustering [9] [22]. Figure 8 shows the effect of solvent density upon fg for first and second neighbours, this quantity passes through a sharper maximum for the case than for the (1)(2); the (1-2) interaction does not even produce a maximum for the excess fraction of first neighbour solvent molecules.…”

Section: Microscopic Picturementioning

confidence: 99%

Solubility in fluids close to their critical points

Fernández‐Prini¹

1995

Pure and Applied Chemistry

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A feature of solubility in near-critical fluids is its strong dependence on pressure and temperature. A general thermodynamic procedure which describes the distribution of solutes between two coexisting phases, may be conveniently employed to describe solubility in near-critical fluids. Asymptotic critical relations are a great help to evaluate data for volatile solutes, for solid solutes they help to separate contingent dependences of solubility from those which are essential. This analysis suggests there is no need to invoke the existence of critical clustering to explain the observed behaviour.

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Integral equation study of microstructure and solvation in model attractive and repulsive supercritical mixtures

Cited by 48 publications

References 24 publications

Reactions at supercritical conditions: Applications and fundamentals

Reactions at supercritical conditions: Applications and fundamentals

Thermodynamic Aspects of Supercritical Fluids Processing: Applications of Polymers and Wastes Treatment

Solubility in fluids close to their critical points

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