Phase Equilibrium Calculations by Equation of State for Aqueous Systems with Low Mutual Solubility

Baumgaertner, M.; Moorwood, R.A.S.; Wenzel, Herbert R.

doi:10.1021/bk-1980-0133.ch021

Cited by 6 publications

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“…There also have been several applications of trial-and-error methods for calculating combined chemical/physical equilibria using equations of state. Baumgaertner et. al.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics of hydrogen‐bonded molecules: The associated perturbed anisotropic chain theory

1986

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T h e perturbed anisotropic chain theory (PACT) d e v e l o p e d b y Vimalc h a n d a n d Donohue h a s b e e n generalized t o t r e a t pure fluids t h a t assoc i a t e through hydrogen bonding, as well as mixtures of one a s s o c i a t i n g component a n d several diluents. Using an a p p r o a c h similar t o t h a t of Heidernann a n d Prausnitz, a closed-form equation of s t a t e h a s b e e n derived. It is applicable t o simple as well as complex molecules at both gas a n d liquidlike d e n s i t i e s and t a k e s into account dipole and/or quadrupole moments. Molecular p a r a m e t e r s were obtained by fitting t h e equation t o experimental liquid density a n d vapor p r e s s u r e d a t a .

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“…There also have been several applications of trial-and-error methods for calculating combined chemical/physical equilibria using equations of state. Baumgaertner et. al.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics of hydrogen‐bonded molecules: The associated perturbed anisotropic chain theory

1986

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“…As for systems that include nitrogen, the calculations above clearly show the limitations of the EoS method in the form in which it is used here. It can be shown (Wenzel et al, 1981) that it is possible to treat such systems by including association into the EoS procedure, as was already done in other systems by Baumgaertner et al (1979Baumgaertner et al ( , 1980.…”

Section: Discussionmentioning

confidence: 96%

“…To include such systems, modified mixing rules have been proposed by Evelein et al (1976) and Huron and Vidal (1979). Recent ( Baumgaertner et al, 1979Baumgaertner et al, ,1980Gmehling et al, 1979) have shown that in order to describe systems containing water, carboxylic acids, and other hydrogen bonding components, association may be included into the EoS model. So far, however, the limits of using the EoS model without including association have not yet been well established.…”

Section: Introductionmentioning

confidence: 99%

Vapor-liquid equilibrium calculations in binary systems of hydrocarbons + related compounds not containing oxygen. Comparison between methods using equations of state and activity coefficients

Góral¹,

Ma̧czyński²,

Schmidt³

et al. 1981

Ind. Eng. Chem. Fund.

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Thermodynamics of Lewis acid‐base mixtures

et al. 1990

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The associated perturbed-anisotropic-chain theory (APACT) has been applied to treat multicomponent mixtures, in which components exhibit Lewis acid-base interactions. Mixtures of amphoteric molecules (such as alcohols), acidic molecules (such as chloroform), and basic molecules (such as ketones) as well as nonassociating components (diluents) are treated. The acid-base version of the perturbedanisotropic-chain theory (ABPACT) is a closed form equation of state that takes into account explicitly dispersion interactions, polar interactions, and hydrogen bonding interactions between components that self-associate or solvate. The equation fits binary VLE mixtures quite accurately. Calculated results also are compared with those obtained from the Peng-Robinson equation of state, UNIFAC and the original APACT. In all cases where there are mixtures of associating components, the ABPACT gives a better fit of experimental data than these other equations.

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Phase Equilibrium Calculations by Equation of State for Aqueous Systems with Low Mutual Solubility

Cited by 6 publications

References 0 publications

Thermodynamics of hydrogen‐bonded molecules: The associated perturbed anisotropic chain theory

Thermodynamics of hydrogen‐bonded molecules: The associated perturbed anisotropic chain theory

Vapor-liquid equilibrium calculations in binary systems of hydrocarbons + related compounds not containing oxygen. Comparison between methods using equations of state and activity coefficients

Thermodynamics of Lewis acid‐base mixtures

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