Calculation of phase equilibria in systems containing water and supercritical components

doi:10.1016/0009-2509(78)80044-X

Chemical Engineering Science

Volume 33, Issue 6, 1978, Pages 683-687

https://doi.org/10.1016/0009-2509(78)80044-X Get rights and content

Abstract

The Redlich-Kwong equation of state was used in both the liquid and vapour phases to calculate vapour-liquid equilibria in binary and ternary systems c

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Cited by (7)

Phase behavior experiments and PVT modeling of DME-brine-crude oil mixtures based on Huron-Vidal mixing rules for EOR applications
2017, Fluid Phase Equilibria
Citation Excerpt :
However, since they imply a quasi-regular behavior, they fail to capture the effects of hydrogen bounding/polar interactions (e.g. water, alcohols, glycols and acids). Therefore, to compensate for these failures, some authors have proposed the modification in the value of pure-component parameters [21,22]. However, this may not be appropriate to use one set of parameters for single phase and another set of parameters for a mixture.
We present extensive experimental and modeling studies on phase behavior of DME-brine-crude oil mixtures using the Peng–Robinson equation of state (EOS) with the Huron-Vidal mixing rule to capture the interaction between various components of the mixture. We show that DME has strong preference towards the oil phase as compared to the aqueous phase due to its first contact miscibility with hydrocarbons and partial solubility in water/brine. This feature makes DME a potential candidate for enhanced oil recovery (EOR) applications that can lead to accelerated oil production compared to conventional waterflooding technologies. In particular, we present novel experimental data for (i) solubility of DME in brine at various conditions of pressure, temperature and salinity; (ii) phase behavior of a live crude oil; and (iii) partitioning of DME between brine and the live crude oil at reservoir condition. We also develop a PVT model for the DME-brine-oil mixture based on experimental data available from combination of in-house measurements and literature data. Finally, we investigate the predicting capability of the tuned PVT model and determine the effect of feed composition on DME-partitioning coefficients.
An equation of state description of weak electrolyte VLE behavior
1986, Fluid Phase Equilibria
The perturbed-hard-chain equation of state as applied to polar molecules by Gmehling et al. (1979) has been extended to describe the VLE behavior of weak electrolyte systems. Binary systems for which parameters have been determined include NH₃/H₂O, CO₂/H₂O, H₂S/H₂O and CO₂/H₂S. Parameters for the binary pairs CO₂/NH₃ and H₂S/NH₃ were determined from data for the ternary systems, H₂O/CO₂/NH₃ and H₂O/H₂S/NH₃. One additional parameter was required to describe each of these ternaries. Results for the quaternary system H₂O/CO₂/H₂S/NH₃ were then calculated.
Results calculated with the EG (extended Gmehling) model and three other models: those of Edwards, Maurer, Newman, and Prausnitz, (1980), Beutier, Renon, (1978), and Wilson, (1978) are compared to literature data. The EG model gives deviations from the literature values that are equivalent, more or less, to those of the other models, even though the number of mixture parameters required by the EG model is much less than that required by the other models.
High-pressure vapor-liquid equilibria for mixtures containing one or more polar components. Application of an equation of state which includes dimerization equilibria
1979, Chemical Engineering Science
Perturbed-hard-chain theory is extended to include chemical dimerization equilibria for strongly polar molecules. Using four adjustable molecular parameters, the extended theory gives good representation of the PVT properties of polar fluids, including water, alcohols and ketones. For nonpolar fluids only three adjustable parameters are required. Straightforward extension to mixtures requires one characteristic binary parameter for “physical” interactions and, for polar-polar mixtures, another for “chemical” interactions. The combined “physical and chemical” theory gives good representation for a variety of binary mixtures containing polar and/or nonpolar components. Particular attention is given to the systems methanol-water and ethanol-water where good results are obtained at pressures ranging from atmospheric to over 100 bars.
New mixing rules in simple equations of state for representing vapour-liquid equilibria of strongly non-ideal mixtures
1979, Fluid Phase Equilibria
Huron, M.-J. and Vidal, J., 1979. New mixing rules in simple equations of state for representing vapour-liquid equilibria of strongly non-ideal mixtures. Fluid Phase Equilibria, 3: 255-271.
Good correlations of vapour-liquid equilibria can be achieved by applying the same two-parameter cubic equation of state to both phases. The results primarily depend on the method used for calculating parameters and, for mixtures, on the mixing rule. True parameters are the covolume b and the energy parameter a/b. For this latter one, deviations from a linear weighting rule are closely connected to the excess free energy at infinite pressure. Thus any mixing rule gives a model for the excess free energy, or any accepted models for this property can be used as mixing rules.
From the above, an empirical polynomial mixing rule is used for data smoothing and evaluation, while for practical work a local composition model is used. The mixing rule thus obtained can be reduced to the classical quadratic rule for some easily predicted values of the interaction energies. For highly polar systems, it includes three adjustable parameters. Using literature data, the new mixing rule is applied, in the low and high pressure range, to binary mixtures with one or two polar compounds, giving good data correlation and sometimes avoiding false liquid-liquid immiscibility.
Equation of state representation of aqueous mixtures using an association model
1995, The Canadian Journal of Chemical Engineering
Supercritical CO<inf>2</inf> extraction of organic contaminants from aqueous streams
1991, AIChE Journal

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Calculation of phase equilibria in systems containing water and supercritical components

Abstract

Adv. Cryogen. Engng

A.I.Ch.E.J.

A.I.Ch.E.J.

Chem.-Ing.-Tech.

Chem.-Ing.-Tech.

Ber. Bunsenges. Phys. Chem.

Chem. Engng Sci.

Ind. Engng Chem. Fundls.

A.I.Ch.E.J.

Chem. Rev.

Am. J. Sci.

Z. Phys. Chem. N.F.

Geochemistry

J. Am. Chem. Soc.

J. Am. Chem. Soc.

Chem. Engng Sci.