An extensive thermodynamic study on amino acids aqueous solutions and their CO2 solubility by taking into account dipolar and quadrupolar contributions

Lakzian, Kazem; Salmani, Hossein Jalaei

doi:10.1016/j.molliq.2020.114681

Cited by 10 publications

(3 citation statements)

References 42 publications

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“…The new model was tested by the calculations of the activity coefficient, osmotic coefficient, and molar volume. Very recently, Lakzian and Jalaei Salmani applied CPP to the modeling of water + amino acid and water + amino acid + CO 2 mixtures. The calculated results of the activity coefficient, osmotic coefficient, water activity, and density verified the performance of the model for the studied systems and situations.…”

Section: Thermodynamic Modeling For Polar Substancesmentioning

confidence: 99%

Quantification of Dipolar Contribution and Modeling of Green Polar Fluids with the Polar Cubic-Plus-Association Equation of State

Zhu

Liu

et al. 2021

ACS Sustainable Chem. Eng.

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Water, alcohols, ketones, esters, and ionic liquids are usually ranked as green solvents. There is still no consensus how to model these substances in the best manner due to their strong polarities. In this work, with a newly developed polar Cubic-Plus-Association equation of state (PCPA EoS), the influence of the dipole–dipole interaction on thermophysical properties is investigated for associating fluids (water and alcohols), polar nonassociating fluids (hydrogen sulfide, ketones, and esters), and ionic liquids. Special attention is paid to the heat capacity, which is difficult to model as a so-called second-order derivative property. The correlation capabilities of PCPA and CPA are first compared for vapor pressure, liquid density, and heat capacity for a primary evaluation of the dipole–dipole interaction. Then the contributions to residual heat capacity are estimated and compared for the individual terms of PCPA reflecting different molecular interactions. It is found that the contributions from the dipole–dipole interaction are negligible for associating compounds, while they are very important for both polar nonassociating fluids and ionic liquids as accurate heat capacities can be correlated only after they are counted in the model.

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Section: Thermodynamic Modeling For Polar Substancesmentioning

confidence: 99%

Quantification of Dipolar Contribution and Modeling of Green Polar Fluids with the Polar Cubic-Plus-Association Equation of State

Zhu

Liu

et al. 2021

ACS Sustainable Chem. Eng.

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“…Amino acids are the structural constituents of the proteins, containing amine (NH 2 ) and carboxyl (COOH) functional groups with a side chain (R group-aliphatic, acyclic, aromatic) specific to each amino acid. Moreover, an aqueous solution of amino acids and amino acid salts is advantageous in capturing CO 2 where dipole-quadrupole interactions become significant in the investigation of such complicated thermodynamic systems (water + amino acid + carbon dioxide) [20]. The fundamental chemical modifications in the amino acids exposed to SCCO 2 are oxidation, sulfonation, hydroxylation, ring-opening, and amidation [21], wherein the inactivation of enzymes is mostly attributable to the type of amino acid in the active site [22].…”

Section: Introductionmentioning

confidence: 99%

Enzyme Activity and Physiochemical Properties of Flour after Supercritical Carbon Dioxide Processing

Leitgeb

Knez

Podrepšek

2022

Foods

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The objectives of this study were to inactivate the enzymes α-amylase, lipase, protease, and peroxidase in flour with supercritical carbon dioxide (scCO2), and to optimize the enzymatic treatment conditions. Enzyme inactivation is important, due to the undesirability of certain flour enzymes that cause adverse reactions during storage as unpleasant rancidity of flour, and, at the same time, reduce the shelf life of flour. Therefore, crude enzymes and flour were initially exposed to scCO2 to determine the effect on specific enzyme activity under appropriate conditions. The activity of the unwanted enzymes lipase and peroxidase decreased under optimal process conditions of scCO2 exposure, lipase by 30%, and peroxidase by 12%, respectively. It was discovered that the inactivation of enzymes in wheat flour occurred, where, at the same time, this sustainable method allows the regulation of enzyme activity in the baking process. Afterwards, the effect of scCO2 on the physicochemical properties of flour, morphological changes on starch granules, and content of total lipids was studied. In scCO2-treated white wheat flour, the fat content decreased by 46.15 ± 0.5%, the grain structure was not damaged, and the bread as the final product had a lower specific surface volume. Therefore, this could be a promising technology for flour pretreatment, potentially impacting the prolonging of its shelf-life.

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“…16,17 An EoS is fundamentally derived from Helmholtz energy and it is usually written in terms of pressure. In addition to calculating liquid density easily, 19,20 any required thermodynamic property such as specific heat capacity and compressibility factor can be obtained by proper differentiating from Helmholtz energy. 18 It is required to correctly take into account intermolecular forces for constructing an effective EoS where compounds with hydrogen bonds have complicated behavior.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic modeling of binary mixtures of ethylenediamine with water, methanol, ethanol, and 2-propanol by association theory

et al. 2022

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An extensive thermodynamic study on amino acids aqueous solutions and their CO2 solubility by taking into account dipolar and quadrupolar contributions

Cited by 10 publications

References 42 publications

Quantification of Dipolar Contribution and Modeling of Green Polar Fluids with the Polar Cubic-Plus-Association Equation of State

Quantification of Dipolar Contribution and Modeling of Green Polar Fluids with the Polar Cubic-Plus-Association Equation of State

Enzyme Activity and Physiochemical Properties of Flour after Supercritical Carbon Dioxide Processing

Thermodynamic modeling of binary mixtures of ethylenediamine with water, methanol, ethanol, and 2-propanol by association theory

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