Determining the gas-liquid partitioning ( K) of acetaldehyde during alcoholic fermentation is an important step in the optimization of fermentation control with the aim of minimizing the accumulation of this compound, which is responsible for the undesired attributes of green apples and fresh-cut grass in wines. In this work, the effects of the main fermentation parameters on the K of acetaldehyde were assessed. K values were found to be dependent on the temperature and composition of the medium. A nonlinear correlation between the evolution of the K and fermentation progress was observed, attributable to the strong retention effect of ethanol at low concentrations, and it was demonstrated that the partitioning of this specific molecule was not influenced by the CO production rate. A model was developed that quantifies the K of acetaldehyde with a very accurate prediction, as the difference between the observed and predicted values did not exceed 9%.
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http://dx.doi.org/10.1021/acs.jafc.8b01855 | DOI Listing |
J Chromatogr A
August 2024
Department of Chemistry, Wayne State University, Rm 185 Chemistry, Wayne State University, Detroit, MI 48202, USA. Electronic address:
The solvation parameter model uses six descriptors identified as excess molar refraction, E, dipolarity/polarizability, S, overall hydrogen-bond acidity, A, overall hydrogen-bond basicity, B, McGowan's characteristic volume, V, and the gas-liquid partition constant on hexadecane at 25 °C, L to model the distribution of neutral compounds in biphasic systems. Abraham's version of this model uses all six descriptors with two separate linear free energy relationship models for the transfer of compounds from a gas phase to a condensed phase and between condensed phases. Goss proposed a modification to this model that uses a single calibration model regardless of the physical state for each phase and five of the descriptors employed in Abraham's model (E descriptor is eliminated).
View Article and Find Full Text PDFNPJ Clim Atmos Sci
June 2024
PSI Center for Energy and Environmental Sciences, Paul Scherrer Institute, 5232 Villigen, Switzerland.
Organic compounds released from wildfires and residential biomass burning play a crucial role in shaping the composition of the atmosphere. The solubility and subsequent reactions of these compounds in the aqueous phase of clouds and fog remain poorly understood. Nevertheless, these compounds have the potential to become an important source of secondary organic aerosol (SOA).
View Article and Find Full Text PDFJ Chromatogr A
August 2024
Department of Chemistry, Wayne State University, Detroit, MI 48202, USA. Electronic address:
The solvation parameter model uses six compound descriptors to model equilibrium properties in biphasic systems formally defined as excess molar refraction, E, dipolarity/polarizability, S, overall hydrogen-bond acidity, A, overall hydrogen-bond basicity, B, McGowan's characteristic volume, V, and the gas-liquid partition constant on hexadecane at 25 °C, L. The V descriptor can be assigned from structure and the E descriptor for compounds liquid at 20 °C can be calculated from its refractive index and characteristic volume. The E descriptor for compounds solid at 20 °C and the S, A, B, and L descriptors are assigned from experimental properties traditionally obtained by chromatographic, liquid-liquid partition, and solubility measurements.
View Article and Find Full Text PDFEnviron Sci Pollut Res Int
April 2024
División de Ciencias Ambientales, Instituto Potosino de Investigación Científica y Tecnológica, Camino a La Presa San José 2055. Col. Lomas 4a. Sección, CP. 78216, San Luis Potosí, S.L.P, Mexico.
The development of technologies to capture greenhouse gases (GHGs) like carbon dioxide (CO) and nitrous oxide (NO) is vital for climate change mitigation. Ionic liquids (ILs), deep eutectic solvents (DES), and natural deep eutectic solvents (NADES) are promising absorbents to abate GHGs emissions. However, their high viscosity limits the gas-liquid contact, as consequence of the mass transfer.
View Article and Find Full Text PDFJ Chromatogr A
February 2024
Department of Chemistry, Wayne State University, Detroit, MI 48202, USA. Electronic address:
The solvation parameter model uses five system independent descriptors to characterize compound properties defined as excess molar refraction, E, dipolarity/polarizability, S, hydrogen-bond acidity, A, hydrogen-bond basicity, B, and the gas-liquid partition constant at 25 °C on n-hexadecane, L, to model transfer properties in gas-condensed phase biphasic systems. The E descriptor for compounds liquid at 20 °C is available by calculation using a refractive index value while E for solid compounds at 20 °C and the S, A, B, and L descriptors are determined by experiment. As a single-technique approach, it is shown that with up to 20 retention factor measurements on four columns comprising a poly(siloxane) containing methyloctyl or dimethyldiphenylsiloxane monomers (SPB-Octyl or HP-5), a poly(siloxane) containing methyltrifluoropropylsiloxane monomers (Rtx-OPP or DB-210), a poly(siloxane) containing bis(cyanopropylsiloxane) monomers (HP-88 or SGE BPX-90), and a poly(ethylene glycol) stationary phase (DB-WAXetr or HP-INNOWAX) are suitable for assigning the S, A, and L descriptors.
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