A method to predict solubility of hydrogen in hydrocarbons and their mixtures

Riazi, M.R.; Roomi, Yousef A.

doi:10.1016/j.ces.2007.08.005

Cited by 50 publications

(33 citation statements)

References 14 publications

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“…25). Riazi and Roomi (2007) suggest to modify the gas solubility coefficient instead of that of the solvent. They state that the solubility parameter of the gas in a fictitious liquid phase (δ 1 ) will depend on the molecular weight of this phase.…”

Section: Riazi Correctionmentioning

confidence: 99%

“…This relationship has been developed for paraffinic crudes only because of the lack of sufficient data on naphthenic or aromatic crudes (Riazi and Roomi, 2007).…”

Section: Riazi Correctionmentioning

confidence: 99%

“…The correction factor depends on the type of gas and solvent (i.e., a petroleum fraction or a coal liquid) but is independent of temperature. For paraffin rich petroleum fractions following relationship is proposed by Riazi and Roomi (2007):…”

Section: Riazi Correctionmentioning

confidence: 99%

See 2 more Smart Citations

Improving the Modeling of Hydrogen Solubility in Heavy Oil Cuts Using an Augmented Grayson Streed (AGS) Approach

Torres

Hemptinne

Мачин

2013

Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles

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est souvent préconisée dans l'industrie pour calculer la solubilité de l'hydrogène dans des coupes pétrolières. Il se fait cependant que sa précision se dégrade rapidement pour les coupes lourdes. Une amélioration est proposée dans ce travail, basée sur l'ajout d'un terme de Flory dans le calcul du coefficient d'activité. L'étude de la solubilité de l'hydrogène dans les n-alcanes du n-C 7 au n-C 36 fait apparaître que la constante de Henry diminue avec la masse molaire. L'analyse de ce comportement suggère la présence d'une déviation entropique à l'idéalité non prise en compte dans le modèle des solutions régulières. L'utilisation d'une correction de Flory permet de garder l'aspect prédictif du modèle. Elle nécessite néanmoins un nouveau calage de certains paramètres de la corrélation d'origine pour l'hydrogène. Le modèle qui résulte se comporte mieux pour les composés lourds et aromatiques. La qualité du nouveau modèle de Grayson Streed Augmenté (GSA) est évaluée sur des données de solubilité d'hydrogène dans des coupes pétrolières issues de Cai et al. [Cai H.Y. et al. (2001) Fuel 80, 1055-1063 ainsi que Lin et al. [Lin H.M. et al. (1981) Ind. Eng. Chem. Process Des. Dev. 20, 2, 253-256]. L'importance de la caractérisation de ces coupes est mise en avant. Une analyse de sensibilité montre qu'une perturbation du paramètre de solubilité a un effet beaucoup plus important que pour les autres paramètres. Il en résulte qu'un grand soin doit être apporté au calcul de cette grandeur. La prédiction de la solubilité de l'hydrogène dans des fractions pétrolières lourdes et dans des charbons liquéfiés a été améliorée par rapport au modèle de Grayson Streed : une déviation absolue moyenne de 30 % est obtenue pour GSA, à comparer avec 55 % avec la méthode GS, avec les données utilisées dans un domaine de 80-380 °C et 6,3-258,9 bar. [Grayson H.G. and Streed C.W. (1963) 6th World Petroleum Congress, Frankfurt am Main, Germany, 19-26 June, pp. 169-181] Abstract -Improving the Modeling of Hydrogen Solubility in Heavy Oil Cuts Using an Augmented Grayson Streed (AGS) Approach -The Grayson Streed (GS) method

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Section: Riazi Correctionmentioning

confidence: 99%

“…This relationship has been developed for paraffinic crudes only because of the lack of sufficient data on naphthenic or aromatic crudes (Riazi and Roomi, 2007).…”

Section: Riazi Correctionmentioning

confidence: 99%

See 1 more Smart Citation

Improving the Modeling of Hydrogen Solubility in Heavy Oil Cuts Using an Augmented Grayson Streed (AGS) Approach

Torres

Hemptinne

Мачин

2013

Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles

View full text Add to dashboard Cite

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“…The core of this method is the vapor liquid equilibria relationship given as Equation 4 in the reference 54 (shown here as Equation 2).…”

Section: Modeling Hydrogen Solubility In Kukersite Shale Oilmentioning

confidence: 99%

“…The activity coefficient γ 1 is estimated using Scatchard-Hildebrand theory, and the solubility parameter and molar volume of the fuel needed for this calculation are predicted from correlations given in the reference 54 that are based on model pure compounds. The liquid phase fugacity f 1 L is estimated using Equation 8 in the reference 54 (shown here as Equation 3)…”

Section: Modeling Hydrogen Solubility In Kukersite Shale Oilmentioning

confidence: 99%

Hydrogen Solubility of Shale Oil Containing Polar Phenolic Compounds

Baird

Uusi–Kyyny

Oja

et al. 2017

Ind. Eng. Chem. Res.

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Many refineries use hydrogen to upgrade heavy fuel feedstocks, and therefore, hydrogen solubility is an important parameter. Shale oil is a fuel for which hydrotreatment is of interest, but no data about its hydrogen solubility can be found in the literature. This article presents experimental data for the hydrogen solubility of two shale oil samples measured at high temperatures and pressures (423 to 527 K and 40 to 140 bar). Experiments were performed using a continuous flow apparatus. Results show that the shale oil had a lower hydrogen solubility than most other fuels, probably due to the high content of polar phenolic compounds in the oil. Removing about 80 % of the phenolic compounds increased the hydrogen solubility by approximately 0.1 mol H 2 /kg oil (which is about 15 to 45 %, depending on the solubility). Analysis also showed that current prediction methods used for petroleum and coal liquids cannot reliably be used for predicting the hydrogen solubility of this shale oil and other similar fuels.

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Structure–solubility and solvation energy relationships for propanol in different solvents using structural and empirical scales

Honarasa

Yousefinejad

Nekoeinia

2021

J Chinese Chemical Soc

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Research on the solubility of n‐propanol in different solvents is important because of the wide applications of n‐propanol in cosmetics, cleaning, printing, coatings, and chemical industries. The goal of this research was to investigate the structural or empirical properties of different solvents on the Ostwald solubility coefficient of n‐propanol. In this research, two different approaches, that is, linear solvation energy relationship (LSER) and quantitative structure–property relationship (QSPR), have been used to predict and descript the gas‐solvent partition coefficient of n‐propanol, as its solubility index, in 36 different solvents. In the suggested LSER model, the role of solvent–solute interactions on the solubility of n‐propanol as a physicochemical property can be investigated. In addition to structural features, which were used in the QSPR model, the interpretation of the LSER model showed that the donor number of solvents, modified polarity scale of solvents, and entropy of solvation are three important parameters in the Ostwald solubility coefficient of n‐propanol.

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A method to predict solubility of hydrogen in hydrocarbons and their mixtures

Cited by 50 publications

References 14 publications

Improving the Modeling of Hydrogen Solubility in Heavy Oil Cuts Using an Augmented Grayson Streed (AGS) Approach

Improving the Modeling of Hydrogen Solubility in Heavy Oil Cuts Using an Augmented Grayson Streed (AGS) Approach

Hydrogen Solubility of Shale Oil Containing Polar Phenolic Compounds

Structure–solubility and solvation energy relationships for propanol in different solvents using structural and empirical scales

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