Development of a Henry’s constant correlation and solubility measurements of n-pentane, i-pentane, cyclopentane, n-hexane, and toluene in water

Chapoy, Antonin; Haghighi, Hooman; Tohidi, Bahman

doi:10.1016/j.jct.2008.01.019

Cited by 31 publications

(16 citation statements)

References 127 publications

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“…In the literature (Chapoy et al, 2008;Deal and Derr, 1964;Leinonen and Mackay, 1973;Macauliffe, 1963;Mackay and Shiu, 1981;Polak and Lu, 1973;Roddy and Coleman, 1968;Sorensen and Arlt, 1979;Sugi and Katayama, 1977;Tsonopoulos and Wilson, 1983) numerous values for solubility were found at several temperatures for this pair. However, in most cases values varied from source to source and thus consistent trends were not found.…”

Section: Hexane -Watermentioning

confidence: 90%

“…Large amounts of VLE data of hexane-butanol over the temperature range were found (Chapoy et al, 2008;Christensen et al, 1984;Gmehling and Onken, 2003;Gmehling et al, 1981;Gracia et al, 1992). Barker's method (Barker, 1953) was also applied following the excess Gibbs energy expression from Marsh (1977) in order to get vapor composition (y) data, and to generate corresponding γ 's for whose datasets were in P-x form.…”

Section: Hexane -Butanolmentioning

confidence: 99%

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Universal liquid mixture model for vapor-liquid and liquid-liquid equilibria in hexane-butanol-water system over the temperature range 10 - 100 °C

Islam¹,

Kabadi²

2011

Chemical and Process Engineering

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This is an extended research of the paper conducted to obtain a universal set of interaction parameters of the model NRTL over the temperature range 10 -100 °C for hexanebutanol-water system; meaning for binary pairs hexane-butanol, butanol-water and hexane-water; and for ternary system hexane-butanol-water. Thorough investigations of data selections for all binary pairs (Vapor-Liquid Equilibrium (VLE), Liquid-Liquid Equilibrium (LLE)), infinite dilution activity coefficient (γ ∞ ), infinite dilution distribution coefficient (D sw ), excess enthalpy (H E ), and for ternary system (LLE of hexane-butanol-water) were carried out. Finally quadratic temperature dependent interaction parameters were estimated regressing all the mentioned data and in each case calculated results were compared with literature values. The comparisons showed an overall percentage of error within 15% for the mentioned phase equilibrium calculations.

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Section: Hexane -Watermentioning

confidence: 90%

Section: Hexane -Butanolmentioning

confidence: 99%

Universal liquid mixture model for vapor-liquid and liquid-liquid equilibria in hexane-butanol-water system over the temperature range 10 - 100 °C

Islam¹,

Kabadi²

2011

Chemical and Process Engineering

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“…Different models were then tested and only the retained ones are cited here. The evolutions of the selected models for Henry's constants for CO 2 [17], O 2 [17], SO 2 [18], N 2 [19] and CH 4 [20] versus the temperature and at saturation pressure are represented on a same figure (fig.1). …”

Section: Henry's Constantmentioning

confidence: 99%

Simulations of the Impact of Co-injected Gases on CO2 Storage, the SIGARRR Project: First Results on Water-gas Interactions Modeling

et al. 2014

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When capturing CO 2 , the collected gas mixture can vary considerably both qualitatively and quantitatively, based on the CO 2 origin, the capture process and the industrial sector. Co-injected with CO 2 , these impurities might be an issue in case of leakage but may also impact the subsurface storage. Operators of the whole CCS chain are therefore waiting for recommendations in terms of admissible concentrations while regulators are waiting for tools allowing them to formulate these recommendations. The SIGARRR project aims at proposing accurate reactive-transport simulations to model the long-term behavior of CO 2 and its coinjected gases within storage sites focusing on the reactivity with reservoirs and the possible inferences on the environment. The paper presents first numerical results on water-gas equilibriums in agreement with experiments.

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“…where H stands for the Henry's constant (Pa) and A-D are constants adjusted for different components (Chapoy et al, 2008). Molar volume of saturated water ( ) is estimated using Rackett equation (Rackett, 1970):…”

Section: Aqueous Phase Modelingmentioning

confidence: 99%

Comparative analysis of hydrate formation pressure applying cubic Equations of State (EoS), Artificial Neural Network (ANN) and Adaptive Neuro-Fuzzy Inference System (ANFIS)

Saber¹

2012

Int. J. Thermo

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The objective of this work is making comparison between thermodynamic models and data-driven techniques accuracy in prediction of hydrate formation pressure as a function of temperature and composition of gas mixtures. The Peng-Robinson (PR) and Patel-Teja (PT) equations of state are used for thermodynamic modeling and Artificial Neural Networks (ANNs) and Adaptive Neuro-Fuzzy Inference System (ANFIS) are used as data-driven models. The capability of each method is evaluated by comparison with the experimental data collected from literature. It is shown that there is a good agreement between thermodynamic modeling and the experimental data in most of the cases; however, the prediction relative errors are more than 10% in some cases. The data-driven models are trained and tested using a set of experimental data and their optimum structures are selected based on the prediction error of the test data set. The accuracy of ANN for prediction of hydrate formation pressure is slightly better than those of PR and PT. The prediction errors of ANFIS for all cases are less than 1% which is very promising and proves the potential of ANFIS as a capable tool for prediction of the hydrate formation pressure.

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Development of a Henry’s constant correlation and solubility measurements of n-pentane, i-pentane, cyclopentane, n-hexane, and toluene in water

Cited by 31 publications

References 127 publications

Universal liquid mixture model for vapor-liquid and liquid-liquid equilibria in hexane-butanol-water system over the temperature range 10 - 100 °C

Universal liquid mixture model for vapor-liquid and liquid-liquid equilibria in hexane-butanol-water system over the temperature range 10 - 100 °C

Simulations of the Impact of Co-injected Gases on CO2 Storage, the SIGARRR Project: First Results on Water-gas Interactions Modeling

Comparative analysis of hydrate formation pressure applying cubic Equations of State (EoS), Artificial Neural Network (ANN) and Adaptive Neuro-Fuzzy Inference System (ANFIS)

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