Solubility of <i>n</i>-Hexane and Setchenov’s Constants in Aqueous Solutions of KCl, NaCl, NaBr, and NaNO<sub>3</sub>

Koroleva, S. V.; Korchak, Petr A.; Enders, Sabine; Dobryakov, Yuri G.; Victorov, Alexey I.

doi:10.1021/acs.jced.9b00384

Cited by 4 publications

(7 citation statements)

References 24 publications

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“…In all cases, the surface excess of ions at salt concentrations of 0.9 and 2.7 mol/kg is about – 0.39 and – 0.98 × 10 –6 mol/m 2 , respectively. It should be noted that other EoSs such as those based on the statistical associating fluid theory can also lead to accurate predictions of bulk and interfacial properties of these systems. ,,,− …”

Section: Resultsmentioning

confidence: 99%

“…The cross-influence parameter (β ij is the binary interaction coefficient). By applying the minimum free-energy criterion, the IFT can be obtained as follows The theoretical parameters can be found in our previous studies. , The additional parameter ( h is between NaCl and decane is 245.9) was correlated with the carbon number based on the C2–C6 solubility data. − …”

Section: Methodsmentioning

confidence: 99%

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Bulk and Interfacial Properties of the Decane + Brine System in the Presence of Carbon Dioxide, Methane, and Their Mixture

Choudhary

Ruslan

Nair

et al. 2021

Ind. Eng. Chem. Res.

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Bulk and interfacial properties of decane in the presence of carbon dioxide, methane, and their mixture nilesh choudhary, Arun Kumar narayanan nair * , Mohd fuad Anwari che Ruslan & Shuyu Sun * Molecular dynamics simulations were performed to study the bulk and interfacial properties of methane + n-decane, carbon dioxide + n-decane, and methane + carbon dioxide + n-decane systems under geological conditions. in addition, theoretical calculations using the predictive peng-Robinson equation of state and density gradient theory are carried out to compare with the simulation data.A key finding is the preferential dissolution in the decane-rich phase and adsorption at the interface for carbon dioxide from the methane/carbon dioxide mixture. in general, both the gas solubility and the swelling factor increase with increasing pressure and decreasing temperature. interestingly, the methane solubility and the swelling of the methane + n-decane system are not strongly influenced by temperature. our results also show that the presence of methane increases the interfacial tension (ift) of the carbon dioxide + n-decane system. typically, the ift of the studied systems decreases with increasing pressure and temperature. the relatively higher surface excess of the carbon dioxide + n-decane system results in a steeper decrease in its ift as a function of pressure. Such systematic investigations may help to understand the behavior of the carbon dioxide-oil system in the presence of impurities such as methane for the design and operation of carbon capture and storage and enhanced oil recovery processes.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Bulk and Interfacial Properties of the Decane + Brine System in the Presence of Carbon Dioxide, Methane, and Their Mixture

Choudhary

Ruslan

Nair

et al. 2021

Ind. Eng. Chem. Res.

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“…Theoretical studies have also been undertaken in calculating the bulk and interfacial properties of, for example, the oil+brine and oil+brine+CH 4 /CO 2 systems. ,− ,− Here, we mainly focus on the density gradient theory (DGT) calculations on the basis of the cubic–plus–association (CPA) equation of state (EoS) and the perturbed chain statistical associating fluid theory (PC-SAFT) EoS carried out as described in detail in, for example, our previous publications. ,− When the effects of salt are taken into account, the fugacity coefficient of a nonelectrolyte compound ϕ i is described by ln nobreak0em.25em⁡ ϕ i = ln nobreak0em.25em⁡ ϕ i normalE normalo normalS + ln nobreak0em.25em⁡ γ i normalE normalL where ϕ i EoS is the fugacity coefficient calculated by the CPA EoS (neglecting electrostatic effect), and γ i EL is the Debye–Hückel activity coefficient.…”

Section: Methodsmentioning

confidence: 99%

“…Various other EoSs such as the electrolyte polar PC-SAFT (ePPC-SAFT) might be used to accurately predict the bulk and interfacial properties of these systems. 58,59,62,63,67…”

Section: Industrial and Engineeringmentioning

confidence: 99%

An Overview of the Oil+Brine Two-Phase System in the Presence of Carbon Dioxide, Methane, and Their Mixture

Nair

Ruslan

Cui

et al. 2022

Ind. Eng. Chem. Res.

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An overview of the molecular simulation studies of the oil+brine two-phase system in the presence of CO2, CH4, and their mixture at geological conditions is presented. The simulation results agreed well with the experimental results and the density gradient theory predictions on the basis of the cubic–plus–association equation of state (CPA EoS) (withDebye–Hückel electrostatic term) and the perturbed chain statistical associating fluid theory (PC-SAFT) EoS. The interfacial tension (IFT) of the alkane+H2O system showed almost a linear increase with an increasing number of carbon atoms in the alkane molecule. These IFTs are approximately equal for linear, branched, and cyclic alkanes. Here, the negative surface excess of the alkanes might explain the increase in the IFTs with an increase in the pressure. The surface excesses of the alkanes increased with decreasing temperature. This may explain the decrease of the slopes in the IFT versus pressure plot with a decrease in the temperature. The IFT behavior of the alkane+water+CH4/CO2 system was found to be similar to that observed for the alkane+water system. The addition of CO2 had a more significant influence on the IFT than the addition of CH4. Here, CH4 and CO2 exhibited a positive surface excess. The negative surface excess of the salt ions probably explains the increase in the IFTs of the alkane+brine system with increasing salt content. The solubilities of CH4 and/or CO2 in the H2O-rich phase of the alkane+brine+CH4/CO2 system increased with decreasing salt content (salting-out effect). The IFT of the aromatic hydrocarbon+H2O system is much lower than that of the alkane+H2O system. The surface excess followed the order o-xylene > ethylbenzene > toluene > benzene for the aromatic hydrocarbon+H2O system. This trend has a direct correlation with the aromatic–aromatic interaction.

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“…For non-polar compounds such as benzene, 55 butane 56 and hexane, 57 their solubilities in water decrease as the sodium chloride concentration is increased, which can be described using Setchenov's equation for the activity function of the hydrocarbon in water. As many things are varied to obtain agreement between theory and experiment we were disappointed and sought a more simple system.…”

Section: Modelling Of Gold Extraction From the Deep Eutectic Solventmentioning

confidence: 99%

Metal extraction from a deep eutectic solvent, an insight into activities

Cen

Spahiu

Tyumentsev

et al. 2020

Phys. Chem. Chem. Phys.

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Solubility of n-Hexane and Setchenov’s Constants in Aqueous Solutions of KCl, NaCl, NaBr, and NaNO₃

Cited by 4 publications

References 24 publications

Bulk and Interfacial Properties of the Decane + Brine System in the Presence of Carbon Dioxide, Methane, and Their Mixture

Bulk and Interfacial Properties of the Decane + Brine System in the Presence of Carbon Dioxide, Methane, and Their Mixture

An Overview of the Oil+Brine Two-Phase System in the Presence of Carbon Dioxide, Methane, and Their Mixture

Metal extraction from a deep eutectic solvent, an insight into activities

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Solubility of n-Hexane and Setchenov’s Constants in Aqueous Solutions of KCl, NaCl, NaBr, and NaNO3

Cited by 4 publications

References 24 publications

Bulk and Interfacial Properties of the Decane + Brine System in the Presence of Carbon Dioxide, Methane, and Their Mixture

Bulk and Interfacial Properties of the Decane + Brine System in the Presence of Carbon Dioxide, Methane, and Their Mixture

An Overview of the Oil+Brine Two-Phase System in the Presence of Carbon Dioxide, Methane, and Their Mixture

Metal extraction from a deep eutectic solvent, an insight into activities

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Solubility of n-Hexane and Setchenov’s Constants in Aqueous Solutions of KCl, NaCl, NaBr, and NaNO₃