Proposed alternative phase ratio variation method for the calculation of liquid–vapour partition coefficients of volatiles

Tromelin, Anne; Ayed, Charfedinne; Lubbers, Samuel; Pagès-Hélary, Sandy; Andriot, Isabelle; Guichard, Élisabeth

doi:10.1016/j.chroma.2012.09.039

Cited by 5 publications

(3 citation statements)

References 43 publications

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“…16 The mass spectrometer is calibrated with a liquid reference. As discussed previously, 17 liquid calibration can be a source of uncertainty, but correct practice gives data comparable to those obtained from the internally calibrated phase ratio variation (PRV) method. 17,18 With the PRV method, the depletion from the liquid to the gas phase is explicitly used for different liquid−gas ratios, to calculate the partition coefficient.…”

mentioning

confidence: 91%

“…The mass spectrometer is calibrated with a liquid reference. As discussed previously, liquid calibration can be a source of uncertainty, but correct practice gives data comparable to those obtained from the internally calibrated phase ratio variation (PRV) method. , With the PRV method, the depletion from the liquid to the gas phase is explicitly used for different liquid–gas ratios, to calculate the partition coefficient. However, as elegant as this internal calibration is, the latter is suited for only a limited number of compounds and temperatures, as significant partitioning into the air, that is, H > ∼0.1, is required for accurate results.…”

Section: Introductionmentioning

confidence: 99%

“…Henry's Constants for a Set of Citrus Flavor Molecules at 294 K Measured Individually, Including Values Reported in the Literature,11,17,19 from the HENRYWINTM Model of EPI Suite Using the Bond and Group Estimation Methods for T = 298 K21 …”

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confidence: 99%

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Novel Methodology for Measuring Temperature-Dependent Henry’s Constants of Flavor Molecules

Avison

Gruijthuijsen

Pascu

et al. 2015

J. Agric. Food Chem.

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A new methodology is presented to measure water-air partition coefficients (Henry's constants) of volatiles, using APCI-MS. Significant advantages over other Henry's constant determination methods include the short measurement and sample preparation time and the possibility for simultaneous measurement of multiple volatiles. The methodology is validated by obtaining good agreement with reliable literature values for a series of 2-ketones. The methodology is further explored for eight key volatiles typically found in citrus fruits, including the temperature dependence of the Henry's constant. Using these data can improve estimates of flavor losses during processing and volatile release during consumption.

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confidence: 91%

Section: Introductionmentioning

confidence: 99%

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Novel Methodology for Measuring Temperature-Dependent Henry’s Constants of Flavor Molecules

Avison

Gruijthuijsen

Pascu

et al. 2015

J. Agric. Food Chem.

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Phase ratio variation approach for the study of partitioning behavior of volatile organic compounds in polymer sample bags: Nalophan case study

Durme

Werbrouck

2015

Environ Sci Pollut Res

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Sorption of volatile organic compounds on the inner surface of polymer sampling bags leads to important underestimations of the real headspace concentration. Introducing a wide range of volatiles in a two-phase system containing Nalophan revealed that recoveries decreased down to 57 % in a period of 22 h. In this work, a phase ratio variation approach is investigated to quantify the degree of scalping, and thus enabling to compensate for sorption phenomena. This method requires limited measurements, without the need for time-consuming calibrations. By spiking identical amounts of volatiles in three two-phase systems, each having unique polymer volume/mass ratios β (β 1 = 0, β 2 = 80.9, β 3 = 161.9), individual partitioning coefficients could be experimentally determined for a wide range of compounds. Additionally, a correlation was found between these partitioning coefficients and the liquid molar volume for a number of aliphatic, aromatic, and oxygenated compounds.

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Mechanistic modeling and CFD simulation of gas chromatography to predict separation processes

Ferreira

Nandi

Zibetti

et al. 2021

Braz. J. Chem. Eng.

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Proposed alternative phase ratio variation method for the calculation of liquid–vapour partition coefficients of volatiles

Cited by 5 publications

References 43 publications

Novel Methodology for Measuring Temperature-Dependent Henry’s Constants of Flavor Molecules

Novel Methodology for Measuring Temperature-Dependent Henry’s Constants of Flavor Molecules

Phase ratio variation approach for the study of partitioning behavior of volatile organic compounds in polymer sample bags: Nalophan case study

Mechanistic modeling and CFD simulation of gas chromatography to predict separation processes

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