2020
DOI: 10.1021/acs.jced.0c00845
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Density and Viscosity Measurements of 1-Dodecanol and 1,12-Dodecanediol at Temperatures of up to 573.15 K and Pressures of up to 10 MPa

Abstract: The density and viscosity of liquid 1-dodecanol and 1,12dodecanediol were reported, which were obtained simultaneously by using a vibrating-wire viscometer. The measurements were determined at temperatures from 298.15 to 573.15 K for 1-dodecanol and 373.15 to 573.15 K for 1,12dodecanediol and at pressures from 0.1 to 10 MPa. The combined expanded uncertainties (k = 2) of the reported data for density and viscosity were estimated to be 0.26% and 2.1%, respectively. The density and viscosity data obtained in thi… Show more

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Cited by 10 publications
(3 citation statements)
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“…In this work, a combination of the DFT hybrid functional B3LYP , with the basis set 6-311++G was used. The molecules were considered to be in a cavity within a liquid solvent composed of molecules of their own, and solvation was described according to the Polarizable Continuum Model (PCM). This model is used to simulate the solute cavity via a set of overlapping spheres and requires the knowledge of dielectric constants, refractive indices, densities, and molar masses for each chemical species, which can be seen in Table S2, in the Supporting Information. In addition, after the geometry optimization, a population analysis of the electrons was performed using the Natural Bond Orbital (NBO) function to determine orbital electronic densities and the consequent electrical charge distribution.…”
Section: Methodsmentioning
confidence: 99%
“…In this work, a combination of the DFT hybrid functional B3LYP , with the basis set 6-311++G was used. The molecules were considered to be in a cavity within a liquid solvent composed of molecules of their own, and solvation was described according to the Polarizable Continuum Model (PCM). This model is used to simulate the solute cavity via a set of overlapping spheres and requires the knowledge of dielectric constants, refractive indices, densities, and molar masses for each chemical species, which can be seen in Table S2, in the Supporting Information. In addition, after the geometry optimization, a population analysis of the electrons was performed using the Natural Bond Orbital (NBO) function to determine orbital electronic densities and the consequent electrical charge distribution.…”
Section: Methodsmentioning
confidence: 99%
“…Some high-temperature and high-pressure (HTHP) viscosity measurement methods have been validated, such as vibrating-wire, , rolling ball, dynamic light scattering, and capillary method. , By comparing these methods, the capillary method is found to be used most frequently. Viscosity measurements in HTHP conditions are considerably difficult and few data points are available.…”
Section: Introductionmentioning
confidence: 99%
“…5 The temperature near the wall of the regenerative cooling channel can exceed 700 K, and the pressure at the fuel pump outlet can be as high as 100 MPa. 6 Some high-temperature and high-pressure (HTHP) viscosity measurement methods have been validated, such as vibrating-wire, 7,8 rolling ball, 9 dynamic light scattering, 10 and capillary method. 11,12 By comparing these methods, the capillary method is found to be used most frequently.…”
Section: Introductionmentioning
confidence: 99%