Modelling of phase equilibrium of natural gas mixtures containing associating compounds

Petropoulou, Eirini; Pappa, Georgia D.; Voutsas, Epaminondas

doi:10.1016/j.fluid.2016.10.028

Cited by 20 publications

(6 citation statements)

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“…Voutsas et al 110 applied a different version of CPA (CPA-PR) to model the phase equilibrium of different binary and ternary mixtures involving MEG, modeled using a "4C" association scheme, water, and methane, and naturally a significant improvement over the PR EoS was observed, especially in the ternary mixture.…”

Section: Industrial and Engineering Chemistry Researchmentioning

confidence: 99%

A Statistical Associating Fluid Theory Perspective of the Modeling of Compounds Containing Ethylene Oxide Groups

Crespo

Coutinho

2019

Ind. Eng. Chem. Res.

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Compounds containing ethylene oxide groups as a repeating unit, such as glycols and their ethers, have several applications across different industrial fields. For efficient simulation, design, and optimization of industrial processes based on these compounds, reliable and robust thermodynamic models able to accurately describe their phase equilibria and thermophysical properties are required. For the choice of thermodynamic models available in the literature, the selection of the most adequate is not always obvious, but results have shown overtime that, for associating or polar fluids, association models derived from the statistical associating fluid theory are more accurate and physically sound than the cubic equations of state widely used by industry. However, the current modeling approaches used within the framework of association models have known limitations that must be understood by those developing and applying these models as they often result in a loss of accuracy and extrapolative or predictive ability. This review provides a literature survey of the different works on the modeling of compounds containing ethylene oxide groups using association models, discussing their capabilities and limitations while giving a perspective for future developments in this field.

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Section: Industrial and Engineering Chemistry Researchmentioning

confidence: 99%

A Statistical Associating Fluid Theory Perspective of the Modeling of Compounds Containing Ethylene Oxide Groups

Crespo

Coutinho

2019

Ind. Eng. Chem. Res.

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“…Proper design of dehydration and hydrate inhibition processes requires a combination of a high quality experimental data and thermodynamic models. The scarcity of data for systems of interest to this investigation has been highlighted in several sources [3,[10][11][12][13] and very often the available data are contradictory. Additionally, the gas phase quantification of glycols at operating temperatures and pressures is especially challenging as these compounds occur in the low ppm range, which is near the detection limits of gas chromatography [14].…”

Section: Accepted Manuscriptmentioning

confidence: 99%

New association schemes for mono-ethylene glycol: Cubic-Plus-Association parameterization and uncertainty analysis

Kruger

Kontogeorgis

Solms

2018

Fluid Phase Equilibria

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“…To account for mixture nonideality, the algorithm is coupled with traditional activity coefficient models UNIQUAC and UNIFAC, as well as the UMR-PRU EoS/G E model. UMR-PRU has been proven to yield accurate results in a variety of mixtures, including natural gas, − polar and associating mixtures, , hydrocarbon mixtures containing hydrogen or mercury, and aqueous alkanolamine solutions . UMR-PRU can also be used as a predictive tool by directly employing existing UNIFAC or UNIQUAC parameters.…”

Section: Introductionmentioning

confidence: 99%

Modeling of Simultaneous Chemical and Phase Equilibria in Systems Involving Non-reactive and Reactive Azeotropes

Koulocheris

Panteli

Petropoulou

et al. 2020

Ind. Eng. Chem. Res.

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Simultaneous chemical and phase equilibrium (CPE) calculations are essential in chemical engineering, finding numerous applications in industrial processes, such as reactive distillation. CPE calculations can be challenging in systems involving polar and associating components, which also exhibit azeotropes or even reactive azeotropes, with two common examples being methyl tert-butyl ether and isopropyl acetate synthesis systems. To tackle the problem, a robust algorithm for solving CPE is required, coupled with an accurate thermodynamic model for describing system nonideality. In this work, a Gibbs energy minimization algorithm based on the method of Lagrange multipliers is employed for performing CPE calculations in the aforementioned systems. The algorithm is coupled with traditional activity coefficient models UNIQUAC and UNIFAC, as well as the UMR-PRU model. The results indicate that all models can successfully describe the CPE in the studied systems. UMR-PRU yields very satisfactory results, despite being utilized as a purely predictive tool.

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Modelling of phase equilibrium of natural gas mixtures containing associating compounds

Cited by 20 publications

References 50 publications

A Statistical Associating Fluid Theory Perspective of the Modeling of Compounds Containing Ethylene Oxide Groups

A Statistical Associating Fluid Theory Perspective of the Modeling of Compounds Containing Ethylene Oxide Groups

New association schemes for mono-ethylene glycol: Cubic-Plus-Association parameterization and uncertainty analysis

Modeling of Simultaneous Chemical and Phase Equilibria in Systems Involving Non-reactive and Reactive Azeotropes

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