Density and Viscosity of Several Aldehydes Fragrance Compounds in Their Binary Mixtures with Ethanol at (298.15 K, 308.15 K, and 318.15 K)

Djojoputro, Hiannie; Ismadji, Suryadi

doi:10.1021/je0502344

Cited by 37 publications

(22 citation statements)

References 11 publications

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“…This is due to the reduction of intermolecular interactions between octene–octene and nonanal–nonanal with increasing CO 2 pressure, as observed in the RDFs for both systems. A similar trend in viscosity has been observed experimentally for alkyl acetates, alcohols, acetonitrile, and cyclohexane when expanded by CO 2 . ,, Also, with increasing temperature, CO 2 -expanded 1-octene and nonanal show a decrease in the shear viscosity for a fixed pressure, consistent with the general behavior of neat liquids. Additionally, at a given temperature and CO 2 mole fraction, the viscosity of CO 2 -expanded nonanal is higher than that for CO 2 -expanded 1-octene.…”

Section: Dynamical Propertiessupporting

confidence: 82%

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Pressure and Temperature Tuning of Gas-Expanded Liquid Structure and Dynamics

et al. 2019

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Carbon dioxide-expanded liquids (CXLs) represent an important class of reaction media that provide tunability of mass transport, solvation, and solubility. Their properties have been demonstrated to provide advantages over traditional organic solvents. However, the molecular-level effects of the CO2 expansion on the structure and dynamics of the liquid that lead to this result have not been fully explored. To address this question, we have used molecular simulations to examine the behavior of two CXLs relevant to the hydroformylation of 1-octene, which has been demonstrated to benefit from the use of gas-expanded reaction media. Specifically, the phase equilibrium properties of CO2-expanded 1-octene and nonanal are calculated as functions of temperature and pressure using Gibbs ensemble Monte Carlo simulations to determine the pressure–composition phase diagrams and volume expansion. In addition, molecular dynamics (MD) simulations were conducted to compute the liquid structure, diffusion coefficients, and shear viscosities. The simulated phase diagrams are in excellent agreement with previous experimental data when available, validating the models used. The MD simulations reveal a direct, linear relationship between the liquid viscosity and the volume expansion, which has not been previously reported. In contrast, deviations from such a relationship are observed for the diffusion coefficient at large volume expansion, indicating that a single Stokes–Einstein relation cannot describe the behavior at all pressures.

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Section: Dynamical Propertiessupporting

confidence: 82%

“…The predicted critical point using the law of rectilinear diameters is also indicated (red squares). (b) Nonanal phase diagram from the present simulations (black squares) compared to experimental (green squares) − and EoS (NIST VDNS option) (magenta line) data …”

Section: Phase Equilibriamentioning

confidence: 99%

Pressure and Temperature Tuning of Gas-Expanded Liquid Structure and Dynamics

et al. 2019

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“…Limonene, linalool, ethanol, and water were used to prepare the orange model systems as proposed by Gonçalves et al, whereas limonene, β-pinene, γ-terpinene, citral, ethanol, and water were used for the lemon/lime model systems as proposed by Koshima et al For the real systems, crude orange EO or crude acid lime EO, ethanol, and water were mixed. The CAS registry numbers, suppliers, and experimental purities, sources, and experimental physical properties of the standards used for the model systems and of the hydroalcoholic solvents and the crude EOs, as well as values from the literature at T = (298.2 ± 0.1) K, are shown in Table . ,, − …”

Section: Methodsmentioning

confidence: 99%

Physical Behavior of the Phases from the Liquid–Liquid Equilibrium of Citrus Essential Oils Systems at 298.2 K

et al. 2018

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Solvent extraction is a fractionation process applied to separate terpenes and oxygenated compounds from citrus essential oils (EOs). Once the knowledge of the physical properties of phases was found to be crucial for equipment design and the scaling of tubes and accessories, this study focused on the evaluation of density, viscosity, and interfacial tension of phases from the liquid−liquid equilibrium of citrus EO systems. Model mixtures of orange and lemon EOs and real systems at 298.2 K were prepared, and the physical properties of their phases were thus evaluated. Increased water content in the solvent led to higher values of density, viscosity, and interfacial tension, whereas an increased amount of oxygenated compounds caused lower interfacial tensions. Densities estimated by the simple mixing rule provided good results. Parameters of the Grunberg−Nissan model adjusted to the model systems data exhibited a good description of the viscosities of real systems. The UNIFAC-VISCO model provided suitable predictions of viscosities of the solvent phases, and satisfactory results for the interfacial tensions were calculated by linear adjustment and the Bahramian−Danesh thermodynamic model, except for the real acid lime system.

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“…The main characteristics of tested fuels and pure substances comprised of commercial diesel fuels and oxygenated compounds for the lubricity test are given in Table 1 [17][18][19][20][21]. The ultra-low sulphur diesel (ULSD) and biodiesel derived from rapeseed oil (RME) were provided by Shell Global Solutions UK.…”

Section: Oxygenated Compoundsmentioning

confidence: 99%

Investigation of the lubrication properties and tribological mechanisms of oxygenated compounds

Sukjit

Poapongsakorn

Dearn

et al. 2017

Wear

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Density and Viscosity of Several Aldehydes Fragrance Compounds in Their Binary Mixtures with Ethanol at (298.15 K, 308.15 K, and 318.15 K)

Cited by 37 publications

References 11 publications

Pressure and Temperature Tuning of Gas-Expanded Liquid Structure and Dynamics

Pressure and Temperature Tuning of Gas-Expanded Liquid Structure and Dynamics

Physical Behavior of the Phases from the Liquid–Liquid Equilibrium of Citrus Essential Oils Systems at 298.2 K

Investigation of the lubrication properties and tribological mechanisms of oxygenated compounds

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