Solubility of water in hydrocarbons as a function of water activity

Roddy, J.W.; Coleman, C.F.

doi:10.1016/0039-9140(68)80050-5

Cited by 43 publications

(18 citation statements)

References 6 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%

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%

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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“…Therefore, errors due to the precision of the equipment used to measure water content could be more significant that the error caused by omitting a third constant. Roddy and Coleman showed that water content of benzene, n-hexane and cyclohexane follows Henry's law [5], and so (3) is valid. This result was backed up by Du, who found a straight line relationship between relative humidity, a function of pressure, and dissolved water concentration [14].…”

Section: A Solubility Calculationmentioning

confidence: 96%

“…The approximation of water activity and the ratio of concentration of water dissolved in the oil, c, to the solubility of water in the oil at that temperature, s, follows on from Henry's law [5], shown in (4). Equation (4) shows that the pressure of a solute's vapor, p, is proportional to its concentration dissolved in the solvent c. k is the constant of proportionality (Henry's constant).…”

Section: Introductionmentioning

confidence: 99%

Improving measurement techniques of power transformer insulation: A study of the intermolecular interactions between water and vegetable oil based dielectrics

Martín

Lelekakis

Ekanayake

et al. 2013

2013 Annual Report Conference on Electrical Insulation and Dielectric Phenomena

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The use of water activity probes immersed in the vegetable oil dielectric of a transformer requires a fresh look at the equations, and assumptions, behind the conversion of water activity to concentration of dissolved water. This is important because water negatively affects the effectiveness of insulation. A large volume of work has been performed on mineral oil based dielectrics to determine mathematical relationships. However, there is a lack of data on whether these relationships hold for vegetable oil. One example is the appropriateness of using the Henry's law coefficient of proportionality to calculate the concentration of water dissolved in the fluid from its water activity. This paper presents research investigating the water activity-concentration relationship for one vegetable oil dielectric. It was found that, at room temperature under the prescribed conditions, using Henry's law is appropriate.

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“…The experimental results [17][18][19] of the solubility of water in alkanes are reported as a mole fraction (x w ) or p.p.m. by weight.…”

Section: Theory a Analysis Of Experimental Datamentioning

confidence: 99%

Electrostatic and induction effects in the solubility of water in alkanes

Asthagiri

Parambathu

Ballal

et al. 2017

The Journal of Chemical Physics

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Experiments show that at 298 K and 1 atm pressure the transfer free energy, µ ex , of water from its vapor to liquid normal alkanes CnH2n+2 (n = 5 . . . 12) is negative. Earlier it was found that with the united-atom TraPPE model for alkanes and the SPC/E model for water, one had to artificially enhance the attractive alkane-water cross interaction to capture this behavior. Here we revisit the calculation of µ ex using the polarizable AMOEBA and the non-polarizable Charmm General (CGenFF) forcefields. We test both the AMOEBA03 and AMOEBA14 water models; the former has been validated with the AMOEBA alkane model while the latter is a revision of AMOEBA03 to better describe liquid water. We calculate µ ex using the test particle method. With CGenFF, µ ex is positive and the error relative to experiments is about 1.5 kBT . With AMOEBA, µ ex is negative and deviations relative to experiments are between 0.25 kBT (AMOEBA14) and 0.5 kBT (AMOEBA03). Quantum chemical calculations in a continuum solvent suggest that zero point effects may account for some of the deviation. Forcefield limitations notwithstanding, electrostatic and induction effects, commonly ignored in considerations of water-alkane interactions, appear to be decisive in the solubility of water in alkanes.

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Solubility of water in hydrocarbons as a function of water activity

Cited by 43 publications

References 6 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

Improving measurement techniques of power transformer insulation: A study of the intermolecular interactions between water and vegetable oil based dielectrics

Electrostatic and induction effects in the solubility of water in alkanes

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