Phase behavior in binary and multicomponent systems at elevated pressures :

Berry, Virginia; Sage, B. H.

doi:10.6028/nbs.nsrds.32

Cited by 11 publications

(3 citation statements)

References 16 publications

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“…The values of x l and x v can easily be obtained using the convex hull by the procedure illustrated with Figure 3 provided by Peng and Robinson [19] for a mixture of carbon-dioxide and isobutane as shown in Figure 5. Further validation was then completed for a range of temperatures for a methane-npentane mixture from NSRDS-NBS 32 data [31] as shown in Figure 6 and for methane-nbutane mixtures using data from Elliot et al [32] as shown in Figure 7. Figures 5 to 7 shows the excellent performance of this procedure by accurately matching these experimental data; a demonstration of the reliability of the convex hull method.…”

Section: Resultsmentioning

confidence: 99%

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Convex hull method for the determination of vapour-liquid equilibria (VLE) phase diagrams for binary and ternary systems

Joseph

Sands

Hicks

et al. 2017

Fluid Phase Equilibria

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Flash calculations are widely used and constitute an integral part of modelling vapour-liquid equilibria in compositional simulators. However, it has been discovered that during compositional simulations, flash calculations take 50-70% of the overall computational time because the procedure currently used is iterative. Hence, several methods such as the reduced variable method, compositional space adaptive tabulation (CSAT) and the tie-line table look-up (TTL) have been developed to improve on the computational speed of most flash calculations during compositional simulations. Unfortunately, most of these methods are still iterative, and pose convergence problems, even though some are developed with efficient Newton-Raphson algorithms. Non-iterative techniques may be the best option to speed up the computational time during simulations. This paper presents a non-iterative procedure for the determination of fluid phase diagrams using the convex hull method and Peng-Robinson equation of state. Convex hull is a mathematical method, and algorithmic implementations of this method are available in many software packages, of which Matlab was used in this work. Unlike the conventional flash calculation method, programs developed with convex hull does not the need an accurate start value to make fluid phase diagrams and determine phase properties for binary and ternary mixtures. The time taken to complete a simulation run using convex hull and the conventional flash calculation method were noted, and the numerical results from both methods was validated against a range of experimental data for different mixtures. The results show good agreement in all the cases investigated. From the analyses, it was shown that the convex hull method is faster than the conventional flash calculation method in achieving convergence and also gave better predictions close to the critical point. The reliability of the results and the additional time benefits are indication that the convex hull method has a promising prospect of becoming an efficient procedure for modelling vapour-liquid phase equilibria calculations for compositional simulations.

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Section: Resultsmentioning

confidence: 99%

“…Comparison of pressure-compositions for C 1 -nC 5 mixture at 370K using convex hull and flash calculation: Results from convex hull are shown as red and blue-dash lines for the bubble and dew point lines while that from flash calculation as green and black lines. The red and blue circles are data obtained from Berry and Sage[31].…”

mentioning

confidence: 99%

Convex hull method for the determination of vapour-liquid equilibria (VLE) phase diagrams for binary and ternary systems

Joseph

Sands

Hicks

et al. 2017

Fluid Phase Equilibria

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“… P – T projection of the global phase diagrams for the reported binary systems. Open circles (○) represent experimental gas–liquid critical points, − solid lines () represent calculated pure–compound vapor pressures, and dashed lines (- - -) represent calculated critical loci using PC–SAFT (black), PR (blue), and PT (red). k 12 values have been taken from the tables given in the Supporting Information.…”

Section: Resultsmentioning

confidence: 99%

Optimized Binary Interaction Parameters for VLE Calculations of Natural Gas Mixtures via Cubic and Molecular-Based Equations of State

Aparício

Hall

2012

Ind. Eng. Chem. Res.

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The objective of this study is to analyze the performance of a selected collection of equations of state (EOS) for the prediction of vapor–liquid equilibrium of the components of a typical natural gas mixture. In this work, 13 biparametric, triparametric, and tetraparametric, widely used simple-cubic-type EOS and three complex, but state-of-the-art, molecular-based EOS are used. A simple, one-fluid-based mixing rule was applied for the extension to mixtures of the models. Binary interaction parameters for the different equations were calculated by correlation of available binary vapor–liquid equilibria data in the experimental literature, in wide temperature–pressure ranges, for the key binary systems relevant to natural gases. The results allow one to infer the performance of the different EOS commonly used for phase equilibria analysis in the natural gas industry, and to study how the different complexity of the studied EOS does (or does not) lead to an improvement in the quality of the predictions.

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Phase equilibria for chain‐fluid mixtures near to and far from the critical region

Jiang

Prausnitz

2000

AIChE Journal

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Phase behavior in binary and multicomponent systems at elevated pressures :

Cited by 11 publications

References 16 publications

Convex hull method for the determination of vapour-liquid equilibria (VLE) phase diagrams for binary and ternary systems

Convex hull method for the determination of vapour-liquid equilibria (VLE) phase diagrams for binary and ternary systems

Optimized Binary Interaction Parameters for VLE Calculations of Natural Gas Mixtures via Cubic and Molecular-Based Equations of State

Phase equilibria for chain‐fluid mixtures near to and far from the critical region

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