New insights and updated correlations for density, viscosity, refractive index, and associated properties of aqueous 4-diethyl-amino-2-butanol solution

Sema, Teerawat; Gao, Hongxia; Liang, Zhiwu; Tontiwachwuthikul, Paitoon; Idem, Raphael

doi:10.1016/j.fluid.2022.113565

Cited by 6 publications

(2 citation statements)

References 53 publications

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“…For the influence of temperature, the V m E values of ion-like liquids decreased slightly with the increase in temperature, and the change in the binary system (DEA + n -butanol) was more obvious (Figure c). This was because at higher temperatures, the intermolecular interaction force weakens and the liquid gains more kinetic energy, , which is consistent with the result that the ρ values of ion-like liquids change with the change in the carbon chain. Compared with the chain length, the V m E values of ion-like liquids increase with the increase in the carbon chain length of the alcohols.…”

Section: Results and Discussionsupporting

confidence: 84%

Excess Properties, Computational Chemistry, and Spectral Analysis of [Diethanolamine + Alcohols (Ethanol, n-Propanol, or n-Butanol)] Ion-Like Liquids

Wang,

Ma,

Zhao

et al. 2023

J. Chem. Eng. Data

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Density (ρ) and viscosity (η) values of [diethanolamine (DEA) + alcohols (ethanol, n-propanol, or n-butanol)] ion-like liquids were measured at T = 298.15−318.15 K and atmospheric pressure. Based on these data, the excess molar volume (V m E ), viscosity deviation (Δη), activation Gibbs free energy (ΔG*), excess activation Gibbs free energy of viscous flow (ΔG* E ), apparent molar volume (V φ ), partial molar volume (V̅ ), and thermal expansion coefficient (α p ) of ion-like liquids were calculated. At the same time, the variation of density with various compositions and temperatures was evaluated by the Jouyban−Acree model and nonlinear least squares method. The dependence of viscosity and dynamic viscosity on composition was fitted by the Grunberg−Nissan, Eyring−Margules, Heric, and McAllister equations, and the dependence of viscosity on temperature was fitted by the Arrhenius equation. Meanwhile, the V m E , Δη, and ΔG* E of ion-like liquids were fitted by the Redlich−Kister (R−K) equation. The intermolecular hydrogen bond (IHB) was discussed in depth on the basis of the change of ultraviolet (UV) and Raman spectra. To further prove the IHBs and their interaction forms, the monomolecular and bimolecular stable structures of DEA with alcohols were optimized by density functional theory (DFT), and the weak interactions between molecules were discussed in depth.

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Section: Results and Discussionsupporting

confidence: 84%

Excess Properties, Computational Chemistry, and Spectral Analysis of [Diethanolamine + Alcohols (Ethanol, n-Propanol, or n-Butanol)] Ion-Like Liquids

Wang,

Ma,

Zhao

et al. 2023

J. Chem. Eng. Data

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“…Another important extension that has not been covered in the earlier paper [1] is the class of ionic liquids [10,. In addition, several papers have been added which contributed various subjects that could not be assigned to any specific subject of the aforementioned ones [2,[371][372][373][374][375][376][377][378][379][380][381][382][383][384][385][386][387][388][389]. Finally, a number of papers published experimental data of the polarizability of molecules, in many cases derived from their refractivity values [6,[390][391][392][393][394][395][396][397][398][399][400][401].…”

Section: Sources Of Refractivity and Polarizability Datamentioning

confidence: 99%

Revision and Extension of a Generally Applicable Group-Additivity Method for the Calculation of the Refractivity and Polarizability of Organic Molecules

Naef¹,

Acree²

2022

Preprint

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In a continuation and extension of an earlier publication, the calculation of the refractivity and polarizability of organic molecules at standard conditions is presented, applying a commonly applicable computer algorithm based on an atom-group additivity method, where the molecules are broken down into their constituting atoms, these again being further characterized by their immediate neighbor atoms. The calculation of their group contributions, carried out by means of a fast Gauss–Seidel fitting calculus, used the experimental data of 5988 molecules from literature. An immediate subsequent ten-fold cross-validation test confirmed the extraordinary accuracy of the prediction of the molar refractivity, indicated by a correlation coefficient R^2 and a cross-validated analog Q^2 of 0.9997, a standard deviation σ of 0.38, a cross-validated analog S of 0.41, and a mean absolute deviation of 0.76%. The high reliability of the predictions has been exemplified with three classes of molecules: ionic liquids, silicon- and boron-containing compounds. The corresponding molecular polarizabilities have been calculated indirectly from the refractivity using the inverse Lorentz-Lorenz relation. In addition, it could be shown that there is a close relationship between the "true" volume and the refractivity of a molecule, revealing an excellent correlation coefficient R^2 of 0.9645 and a mean absolute deviation of 7.53%.

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Comparative mass transfer performance of CO2 absorption using highly-concentrated AMP-PZ-MEA ternary amines solvent

et al. 2023

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New insights and updated correlations for density, viscosity, refractive index, and associated properties of aqueous 4-diethyl-amino-2-butanol solution

Cited by 6 publications

References 53 publications

Excess Properties, Computational Chemistry, and Spectral Analysis of [Diethanolamine + Alcohols (Ethanol, n-Propanol, or n-Butanol)] Ion-Like Liquids

Excess Properties, Computational Chemistry, and Spectral Analysis of [Diethanolamine + Alcohols (Ethanol, n-Propanol, or n-Butanol)] Ion-Like Liquids

Revision and Extension of a Generally Applicable Group-Additivity Method for the Calculation of the Refractivity and Polarizability of Organic Molecules

Comparative mass transfer performance of CO2 absorption using highly-concentrated AMP-PZ-MEA ternary amines solvent

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