Liquid–liquid immiscibility loops predicted with the simplified-perturbed-hard-chain theory

Pelt, A. van; Peters, CJ Cor; Arons, J. de Swaan

doi:10.1063/1.461383

Cited by 61 publications

(29 citation statements)

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“…The analytical method of derivation for various liquid-gas equations of state shows the same main types of fl uid phase behavior for different kind of molecular interactions and the same sequences of transformation of one type of binary phase diagram into another due to continuous alteration of molecular parameters in the equations of state (Scott and van Konynenburg, 1970;Boshkov, 1987;Deiters and Pegg 1989;van Pelt et al, 1991;Harvey, 1991;Kraska and Deiters, 1992;Kraska, 1998, 1999a,b;Yelash et al, 1999;Kolafa et al, 1999). Most of the types of fl uid phase behavior described by Van der Waals and his school as well as by recent experimentalists can be recognized in analytically derived global phase diagrams.…”

Section: Introductionmentioning

confidence: 99%

Phase Equilibria in Binary and Ternary Hydrothermal Systems

Valyashko¹

2008

Hydrothermal Experimental Data

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Section: Introductionmentioning

confidence: 99%

Phase Equilibria in Binary and Ternary Hydrothermal Systems

Valyashko¹

2008

Hydrothermal Experimental Data

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“…Bolz 23 recently performed comparative global phase behavior calculations for the van der Waals and Redlich-Kwong equation of state. van Pelt et al 24 calculated closed loop liquid-liquid immiscibility with the simplified-perturbed hard-chain theory ͑SPHCT͒ equation. A new type of binary fluid phase behavior, type VIII, was calculated by the interference of the high pressure critical curve with critical curves at low pressures.…”

Section: Introductionmentioning

confidence: 99%

Global phase behavior based on the simplified-perturbed hard-chain equation of state

Pelt

Peters

Arons

et al. 1995

The Journal of Chemical Physics

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The equation of state that results from the simplified-perturbed hard-chain theory ͑SPHCT͒ has been used to calculate phase diagrams for binary fluid mixtures and to classify these phase diagrams in accordance with the system of van Konynenburg and Scott. For molecules with equal or similar sizes, the global phase diagrams are similar to the ones obtained with the van der Waals, Redlich-Kwong, and Carnahan-Starling-Redlich-Kwong equation of state. In addition to the types I-V, one can calculate also types VI, VII, and VIII with the SPHCT equation. For molecules with large size differences two new, main types of phase behavior have been discovered. We propose to call them type IX and X.

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“…Type IV or V behavior can be consid- This transitional status is reflected in the sensitivity of the adjustable parameters required to predict the appropriate critical properties. Boshkov (1987), Deiters and Pegg (1990), van Pelt et al (1991), and Smith et al (1989) demonstrated that all of the known phase behavior types exhibited by binary mixtures can be qualitatively reproduced if a suitable model is used. For example, Boshkov (1987) It is probable that many noncubic equations of state can be used for such calculations.…”

Section: Other Phenomenamentioning

confidence: 99%

Calculating critical transitions of fluid mixtures: Theory vs. experiment

Sadus

1994

AIChE Journal

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The progress in predicting critical transitions in fluid mixtures is reviewed. The critical state provides a valuable insight into the general phase behavior of a fluid and is closely linked with the nature and strength of intermolecular interaction. Calculations of critical equilibria have been con fined mainly to binary mixtures. The prediction of binary gas-liquid critical properties was initially limited to empirical correlations. These techniques have been superseded by rigorous calculations of the critical conditions using realistic models of the fluid or equations of state. All of the known types of critical phenomena exhibited by binary mixtures can be, at least, qualitatively calculated. If an optimal combining rule parameter is allowed, continuous gas-liquid properties can be calculated accurately for a wide variety of mixtures. Similarly, the pressure and composition dependence of upper critical solution phenomena can be accurately predicted. Progress has been achieved in predicting discontinuous critical transitions in polar and nonpolar binary mixtures. There is increasing interest in calculating the critical properties of ternary and multicomponent mixtures. Although the techniques applied to binary mixtures often can be directly extended to ternary mixture calculations, calculated critical properties of ternary mixtures indicate that their behavior cannot be considered as a simple extension of binary mixture phenomena. Consequently, ternary critical calculations are likely to provide a superior insight into the phase behavior of multicomponent fluids. IntroductionA critical transition of a fluid is reached when there is no longer any difference in the physical properties between coexisting phases. In the case of a pure fluid, the pressure, temperature and volume of coexisting gas and liquid phases are identical at the gas-liquid critical point. For binary and other multicomponent fluids, the gas-liquid point is also characterized by an equivalence of composition in both phases. Multicomponent fluids can also exhibit critical equilibria between different coexisting liquid phases. It is this latter aspect that generates most of the variety of critical phenomena between mixtures of different component molecules. At very high pressures, the distinction between what constitutes a liquid and what constitutes a gas is not clear, and many workers (Schneider, 1978;McGlashan, 1985) prefer the term "fluid-fluid equilibria'' to embrace both types of phenomena.There are ample examples of the importance of high-pressure critical transitions in chemical engineering processes. The most commonly cited examples include supercritical extraction, distillation, and the enhancement of oil recovery. The location of the critical point determines whether or not retrograde condensation or evaporation (Hicks and Young, 1975) will occur. The vapor pressure curve of a pure liquid ends at the gasliquid critical point, whereas in a binary mixture, at any composition, liquid and vapor coexist in equilibrium between the dew and bu...

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Liquid–liquid immiscibility loops predicted with the simplified-perturbed-hard-chain theory

Cited by 61 publications

References 12 publications

Phase Equilibria in Binary and Ternary Hydrothermal Systems

Phase Equilibria in Binary and Ternary Hydrothermal Systems

Global phase behavior based on the simplified-perturbed hard-chain equation of state

Calculating critical transitions of fluid mixtures: Theory vs. experiment

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