Solubility of hydrocarbons in water: Experimental measurements and modeling using a group contribution with association equation of state (GCA-EoS)

Pereda, Selva; Awan, Javeed A.; Mohammadi, Amir H.; Valtz, Alain; Coquelet, Christophe; Brignole, Esteban A.; Richon, Dominique

doi:10.1016/j.fluid.2008.09.008

Cited by 52 publications

(37 citation statements)

References 36 publications

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“…As seen in Figure , the model reproduces the ethane solubility in water, with reasonable accuracy (the AAD is 3 % and the AAE 3.9 × 10 −5 ). Moreover compared to the two other predictive models (Figure ), the GC–PR–CPA EoS follows the experimental trend with temperature as well as the GCA EoS (7.7 % and 6 % deviations respectively). The GC–PPC–SAFT presents the highest deviation with 25 %, even if dipole‐dipole interactions are taken into account in this equation.…”

Section: Resultsmentioning

confidence: 63%

“…Comparison of ethane solubility in water at the 3‐phases locus (♦) at the VLLE Locus. Dotted lines: GCA Eos . Broken dotted line: GC–PPC–SAFT model .…”

Section: Resultsmentioning

confidence: 99%

“…They have been adjusted on VLE or LLE data and used directly from our software (Hydraflash™) without any retuning for this work. When results were available, the model has been compared to two SAFT type models: the GCA EoS and the GC‐PPC‐SAFT EoS . As mentioned before, the GC‐PR‐CPA EoS has five parameters for pure associating compounds to be adjusted.…”

Section: The Gc–pr–cpa Modelmentioning

confidence: 99%

“…By combining the CPA EoS and the PPR78 model it is expected to have, in a simple way, better and physical reliable predictions for mixtures with water and alcohols. Thus it has been evaluated by predicting mutual solubilities of hydrocarbons – water and compared to the SRK‐CPA EoS with adjusted binary interaction parameters or set to zero and two other SAFT type models: the GCA EoS and GC‐PPC‐SAFT EoS …”

Section: Introductionmentioning

confidence: 99%

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Hydrocarbons – water phase equilibria using the CPA equation of state with a group contribution method

2014

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It is proposed in this paper to extend the original group contribution method PPR78 to systems containing water, by combining it to the Cubic–Plus–Association (CPA) equation of state (EoS). Applying simple geometric combination rules, the binary interaction parameter kij(T) can be calculated from interaction parameters between hydrocarbon groups and water. This model, called the GC–PR–CPA is applied to predict hydrocarbons – water mutual solubilities over a wide temperature and pressure range, depending on available literature data. Group interaction parameters, here CH4, C2H6, CH3, CH2, CH, C, CHaro, CH2,cyclic, CHcyclic/Ccyclic, C2H4, CH2,alkene/CHalkene with H2O have been defined with solubility data. Predictions of the developed model have been validated against independent solubility data as well as water content in hydrocarbon rich phase. Predictions of the new model are in good agreement for light and medium hydrocarbons; however, some deviations are observed for heavier hydrocarbons.

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Section: Resultsmentioning

confidence: 63%

“…Comparison of ethane solubility in water at the 3‐phases locus (♦) at the VLLE Locus. Dotted lines: GCA Eos . Broken dotted line: GC–PPC–SAFT model .…”

Section: Resultsmentioning

confidence: 99%

Section: The Gc–pr–cpa Modelmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Hydrocarbons – water phase equilibria using the CPA equation of state with a group contribution method

2014

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“…By definition, solubility is qualitatively defined as the spontaneous interactions of two or more substances to form a homogeneous molecular dispersions 7 and quantitatively defined as the concentration of a solute in a saturated solution at a constant temperature 8 . Solubility data can be determined through theoretical models 9,10 and experimental measurements 11,12 . On the other hand, the miscibility was usually considered as a thermodynamic state that the solution is homogeneous 13 .…”

Section: Introductionmentioning

confidence: 99%

Quantitative distinction of thermodynamic soluble and miscible states

2020

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Soluble and miscible states are two important thermodynamic states in academic research and practical applications but their quantitative distinctions are still fuzzy. In this study, for the first time, the mathematical formulations of the quantitative criteria for distinguishing the thermodynamic soluble and miscible states are analytically developed by means of the Flory-Huggins solution theory and solubility parameter. The quantitative bottom and upper solubility limits for a total of 13 binary and ternary mixtures are calculated at different conditions. Moreover, the composition, temperature and pore radius are specifically studied to evaluate their effects on the soluble and miscible states. On the basis of the work from this study, the insoluble, soluble but immiscible, and miscible states are definitively quantified and clearly distinguished for the first time. K E Y W O R D S Flory-Huggins solution theory, miscible state, quantitative distinction, solubility parameter, soluble state, thermodynamics

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Solubility of 2,4‐dichlorotoluene in water determined in fused silica capillary reactor by in situ Raman spectroscopy

Pan

Chou

2013

AIChE Journal

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SignificanceThe solubilities of hydrophobic organic compounds (HOCs) in hot compressed water (HCW) were measured using an optically transparent fused silica capillary reactor (FSCR). The total dissolution temperatures of HOCs in HCW were determined visually; the solution homogeneity in the FSCR during HOCs dissolution was checked using Raman spectroscopy. The solubility of 2,4-dichlorotoluene increased linearly with increasing temperature in the range of 266.3-302.4 C.

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Solubility of hydrocarbons in water: Experimental measurements and modeling using a group contribution with association equation of state (GCA-EoS)

Cited by 52 publications

References 36 publications

Hydrocarbons – water phase equilibria using the CPA equation of state with a group contribution method

Hydrocarbons – water phase equilibria using the CPA equation of state with a group contribution method

Quantitative distinction of thermodynamic soluble and miscible states

Solubility of 2,4‐dichlorotoluene in water determined in fused silica capillary reactor by in situ Raman spectroscopy

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