The solubility of water in low-dielectric solvents

Kirchnerová, J.; Cave, G. C. B.

doi:10.1139/v76-562

Cited by 46 publications

(25 citation statements)

References 16 publications

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“…It is comparable to that of water in CCl4. There is some evidence that water is indeed associated with CCl4 and solubility studies suggest that Xx.,,X = 1 where the x's represent the mole fractions of the water-solvent dimer, of the water and of the solvent respectively (49,43). We emphasize that the water in an alkene may be similarly complexed to the double bond, but that our spectra show no evidence of water associating with other water molecules.…”

mentioning

confidence: 77%

The vibrational spectrum of water in liquid alkanes

Conrad¹,

Strauss²

1985

Biophysical Journal

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The water wire hypothesis of hydrogen-ion transport in lipid bilayers has prompted a search for water aggregates in bulk hydrocarbons. The asymmetric stretching vibration of the water dissolved in n-decane and in a number of other alkanes and alkenes has been observed. The water band in the alkanes is very wide and fits to the results of a J-diffusion calculation for the water rotation. This implies that the water is freely rotating between collisions with the solvent and certainly not hydrogen bonded to anything. The existence of water aggregates is thus most unlikely. In contrast, water in an alkene is hydrogen bonded to the solvent molecules (although not to other water molecules) and shows an entirely different spectrum.

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mentioning

confidence: 77%

The vibrational spectrum of water in liquid alkanes

Conrad¹,

Strauss²

1985

Biophysical Journal

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“…As already indicated in the Methodology section, stepwise amounts of water were added to the simulation boxes with a fixed quantity of toluene molecules. The lowest water amount was chosen to match the solubility of water in toluene at these T, P conditions (0.5 g/L at T = 298 K and P = 1 bar) (Kirchnerová and Cave 1976). Then, this concentration was increased 2, 10 and 20 times.…”

Section: Toluene/watermentioning

confidence: 99%

Asphaltene aggregation studied by molecular dynamics simulations: role of the molecular architecture and solvents on the supramolecular or colloidal behavior

et al. 2019

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Asphaltene aggregation is a subject under vivid discussion: There are several parameters one needs to determine before its behavior can be mastered and better target solutions can be tailored. The nature of asphaltene aggregation (colloidal or supramolecular) and the role of solvents and their mixtures are among the least understood parameters in asphaltene science. This paper addresses molecular dynamic simulations to correlate the aggregation properties of asphaltenes, their molecular structure and the concentration of these solvents. We show that the formation of the nanoaggregate depends, primarily, on the size of the conjugated core and on the eventual presence of polar groups capable of forming H-bonds. Heteroatoms on the conjugated core do not change their shape or type of aggregation but may induce stronger π − π interactions. The macroaggregation formation depends upon the length of the lateral chains of asphaltenes and also on the presence of polar groups at its end. Moreover, n-heptane and water may interact selectively with asphaltenes in function of their molecular architecture. Given this fact and the aggregation behavior observed, we advocate toward the assumption that a colloidal behavior of asphaltenes might be a particular case of a more general model, based on a supramolecular description.

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“…The water concentration in the asphaltene solution after 34 days is obviously much higher than the solubility limit in toluene (~500 ppm), which is in agreement with. 28 Then, samples of the 1% and 5% asphaltenes solutions in toluene were observed by transmission microscopy. Pictures (Figure 4) show water micro-droplets at the bottom of the oil container.…”

Section: Asphaltenes Solution In Contact With Water Vapormentioning

confidence: 99%

Auto-Emulsification of Water at the Crude Oil/Water Interface: A Mechanism Driven by Osmotic Gradient

et al. 2019

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This work aims at studying the origin of spontaneous emulsification occurring at the oil/water interface. This phenomenon was observed for the five crude oils tested as well as at the interface of an asphaltene toluene mixture and water. The kinetics of appearance of water micro-droplets was slowed down for increasing salt concentrations and the micro-droplet formation ceases when the chemical potential of water they contain is equal to the one of the water in the bulk solution. Nucleation events occur at the oil-water interface and at the solid surface/liquid interface: some water microdroplets are stuck together close to the oil/water interface, others grow in oil and sediment or nucleate at the oil/solid surface. This suggests the following mechanism: water molecules diffuse from the water reservoir into the oil phase, and then create droplets. These droplets are simultaneously fed by hydrosoluble "osmogeneous" species increasing the osmotic pressure, inducing an osmotic pumping of water molecules into micro-droplets WATER OIL

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The solubility of water in low-dielectric solvents

Cited by 46 publications

References 16 publications

The vibrational spectrum of water in liquid alkanes

The vibrational spectrum of water in liquid alkanes

Asphaltene aggregation studied by molecular dynamics simulations: role of the molecular architecture and solvents on the supramolecular or colloidal behavior

Auto-Emulsification of Water at the Crude Oil/Water Interface: A Mechanism Driven by Osmotic Gradient

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