Détermination de constantes de Henry par chromatographie

Jadot, R.

doi:10.1051/jcp/1972691036

Cited by 21 publications

(12 citation statements)

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“…Furthermore, the fifth category is also characterized by non-overlapping temperature ranges, but experimental data are present only for a single temperature or a [44,46,48,62] very narrow temperature range. For the respective 12 systems, only the simulation data allow for an extrapolation which was found to be in satisfactory agreement with experiment.…”

Section: Resultsmentioning

confidence: 99%

Henry’s Law Constant from Molecular Simulation: A Systematic Study of 95 Systems

et al. 2009

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A set of molecular models from prior work for 78 pure substances is taken as a basis for systematically studying the temperature dependence of the Henry's law constant in pure solvents. All 95 binary mixtures that can be formed out of these 78 components, and for which experimental Henry's law constant data are available, are investigated by molecular simulation. The mixture models are based on the modified Lorentz-Berthelot combining rule that contains one binary interaction parameter which is adjusted to the Henry's law constant at one temperature or, in preceding work, to the binary system vapor pressure. The predictions from the molecular models of the 95 binary mixtures are compared to available experimental data. In most cases, the molecular models yield good predictions for the gas solubility. It is found that the models are generally capable of yielding reliable data both at infinite dilution and at finite mole fractions.Keywords Henry's law constant · Vapor-liquid equilibria · Molecular mixture model · Unlike interaction Electronic supplementary material The online version of this article (

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Section: Resultsmentioning

confidence: 99%

Henry’s Law Constant from Molecular Simulation: A Systematic Study of 95 Systems

et al. 2009

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“…where log L h and log L e are the Ostwald solubility coefficients (or gas-liquid partition coefficients) in heptane [11][12][13][14][15][16][17][18][19][20][21][22][23] and ethylene glycol [13][14][15][16][22][23][24][25][26][27][28][29] at 298 K. Values of log P eh could thus be obtained for 44 extra solutes (nos. 33-76 in Table 2) some with zero values of π 2 H , and with V x as low as 0.0850 for neon; details are in Table 3.…”

Section: Resultsmentioning

confidence: 99%

Hydrogen bonding. 47. Characterization of the ethylene glycol–heptane partition system: Hydrogen bond acidity and basicity of peptides

Abraham

Martins

Mitchell

et al. 1999

Journal of Pharmaceutical Sciences

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Twelve measured ethylene glycol-heptane partition coefficients, Peh, have been combined with 20 measured literature values and 44 indirectly determined values to give a set of 76 values. Excluding one value for benzamide, the log Peh values are correlated through our general solvation equation, log Peh = 0.336 - 0.075R2 - 1. 201pi2H - 3.786 Sigmaalpha2H - 2.201 Sigmabeta2H + 2.085Vx with r2 = 0.966, sd = 0.28, and F = 386. The solute descriptor R2 is the excess molar refraction, pi2H is the dipolarity/polarizability, Sigmaalpha2H and Sigmabeta2H are the overall hydrogen bond acidity and basicity, and Vx is the McGowan volume. The log Peh equation has then been used to obtain descriptors for eleven peptides, all of which are end-protected. It is shown that for these end-protected peptides, hydrogen bond basicity makes a greater contribution to log Peh than does hydrogen bond acidity.

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“…In the figures the data have been extrapolated to the gas normal boiling points corresponding to a mole fraction of unity or the pure gas. The solubility of isobutane in hexane at 298 K as determined by Jadot (1972) is compared with that reported in this work. The mole fraction solubility is 0.278 compared with 0.276 reported in this work.…”

Section: Resultsmentioning

confidence: 88%

“…Hence, a comparison of the solubilities of the four gases in five solvents is possible. The work of Jadot (1972) for the solubility of isobutane in hexane at 298 K as determined by a gas chromatographic technique is available for direct comparison with this work. The solubility of isobutane in hexanoic acid at 273 K (Gerrard, 1973), is also of interest for qualitative comparison with solubilities in acetic acid.…”

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confidence: 99%