High-Pressure Volumetric Properties of Three Monoethylene Glycol Alkyl Ethers

Comuñas, Marı́a J. P.; Reghem, Patrick; Baylaucq, Antoine; Boned, and Christian; Fernández, Josefa

doi:10.1021/je049929f

Cited by 19 publications

(16 citation statements)

References 32 publications

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“…The standard deviations are lower than the experimental uncertainty for the six oils. The three equations correlate the experimental data excellently, with average absolute deviations, AADs, lower or equal to 0.03%. The lowest-quality fit corresponds to motor oil with the Tammann-Tait equation for which the maximum deviation (0.14%) was found.…”

Section: Resultsmentioning

confidence: 64%

“…The behavior of the viscosity at 0.1 MPa as a function of temperature, η( T ), was described using the following modification of Andrade’s equation also known as three-coefficient Vogel–Fulcher–Tammann (VFT) equation: The values obtained for A , B , and C are gathered in Table S3. The average absolute deviations, AAD, of these correlations are lower than 1.3% for all the base oils. The glass-transition temperature is often defined as that at which the shear viscosity of the liquid is 10 12 Pa s .…”

Section: Resultsmentioning

confidence: 72%

“…Remarkable agreement between the experimental and predicted densities was found for eqs and . DH EoS predicts the density values of the six oils with AADs, ranging from 0.34% for G-V up to 0.50% for PAO6. The densities predicted from the ZW EoS present even lower deviations with the experimental values (an AAD lower or equal to 0.34% was found for the six oils).…”

Section: Resultsmentioning

confidence: 99%

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Volumetric Behavior of Some Motor and Gear-Boxes Oils at High Pressure: Compressibility Estimation at EHL Conditions

Guimarey

Comuñas

López

et al. 2017

Ind. Eng. Chem. Res.

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Characterization of elastohydrodynamic lubrication, EHL, contacts requires an appropriate EoS for the lubricant. Experimental viscosities and speeds of sound of six lubricants from 278.15 to 398.15 K at 0.1 MPa together with densities up to 120 MPa are reported. Tammann-Tait and the two EoSs based on the scaling concept describe the experimental densities of the six oils with average deviations lower to 0.03%. Dowson-Higginson and Zhu and Wen equations currently used in numerical simulations of the EHL regime predict these experimental densities with AADs lower than 0.5%. The prediction ability for volumetric properties, mainly isothermal compressibility, of these five EoSs up to 3000 MPa, which can be reached in EHL lubrication, was evaluated. An asymptotic behavior is observed when density is plotted versus pressure for Dowson-Higginson and Zhu and Wen equation, which is not a realistic behavior. The EoSs used in the correlations predict more reasonable trends with pressure.

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Section: Resultsmentioning

confidence: 64%

Section: Resultsmentioning

confidence: 72%

Section: Resultsmentioning

confidence: 99%

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Volumetric Behavior of Some Motor and Gear-Boxes Oils at High Pressure: Compressibility Estimation at EHL Conditions

Guimarey

Comuñas

López

et al. 2017

Ind. Eng. Chem. Res.

Self Cite

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“…Several authors have reported density data for wide ranges of pressures and temperatures for glymes. Comuñas and co-workers − presented density data for EGEE, DEGDME, TriEGDME, and TeEGDME within the 293–353 K and 0.1–60 MPa temperature and pressure ranges, respectively. The experimental data reported here shows percentage absolute average deviations (%AARDs) of 0.75%, 0.04%, 0.05%, and 0.03%, respectively, against their data, as depicted in Figure .…”

Section: Results and Discussionmentioning

confidence: 99%

New Experimental Data and Modeling of Glymes: Toward the Development of a Predictive Model for Polyethers

Navarro

Crespo

Costa

et al. 2017

Ind. Eng. Chem. Res.

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The design and optimization of industrial processes relies on the availability of robust and accurate models and equations of state (EoSs). Considering the further advancement of the use of soft-SAFT (one version of statistical associating fluid theory) EoS, toward its implementation in industrial processes, a methodology to determine the molecular model and transferable molecular parameters of glymes is discussed herein. In addition to the commonly used vapor pressure and saturated liquid densities, the description of the temperature and pressure effect is improved by including one additional density−pressure and one isothermal compressibility isotherm (both at 323 K) for the molecular parameter optimization. For the guiding of the selection and optimization of the soft-SAFT EoS molecular model and parameters, new high-pressure density data (pρT) and derived properties, such as isothermal compressibility and isobaric thermal expansion, of eight glymes (glycol ethers) have been determined in wide ranges of temperatures (283−363 K) and pressures (0.1−95 MPa). The selected molecular model (considering that only the hydroxyl end groups are able to establish associative interactions) and its parameters provide an excellent description of the experimental data, being able to predict the characteristic crossover point observed for the isobaric thermal expansivities. The robustness and enhanced physical meaning of the molecular model and molecular parameters allow the use of correlations with the molecular weight. The transferability of the proposed molecular parameters is further used to predict the liquid densities for PEGDME250 (a blend of di alkyl ethers similar to the Selexol solvent).

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“…In this work, we developed a new parameter set for each of the four solvents. The new sets were determined by fitting to the recommended vapor pressure data developed in this work (from Table ) and experimental liquid density data from the literature (ref for dimethoxymethane, refs and for 1,2-dimethoxyethane, ref for 2-methoxyethanol, and ref for 2-ethoxyethanol) using the simulated annealing optimization technique . The obtained parameters are shown in Table together with average absolute relative deviation (AARD) values between calculated and experimental data.…”

Section: Resultsmentioning

confidence: 99%

Vapor Pressures and Thermophysical Properties of Dimethoxymethane, 1,2-Dimethoxyethane, 2-Methoxyethanol, and 2-Ethoxyethanol: Data Reconciliation and Perturbed-Chain Statistical Associating Fluid Theory Modeling

et al. 2021

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As a continuation of our effort to establish reliable thermodynamic data for important industrial solvents, dimethoxymethane (CAS RN: 109-87-5), 1,2-dimethoxyethane (CAS RN: 110-71-4), 2-methoxyethanol (CAS RN: 109-86-4), and 2ethoxyethanol (CAS RN: 110-80-5) were studied. Vapor pressure was measured by ebulliometry for dimethoxymethane and by static method for 1,2-dimethoxyethane, 2-methoxyethanol, and 2ethoxyethanol. Heat capacities in the liquid phase of all four compounds were measured by Tian−Calvet calorimetry in the temperature interval (262−358) K. In the case of dimethoxymethane and 1,2-dimethoxyethane, this interval was shortened because of their volatility. The thermodynamic properties in the ideal gaseous state were calculated using the methods of statistical thermodynamics based on calculated fundamental vibrational frequencies and molecular structure data. Calculated ideal-gas heat capacities and experimental data on vapor pressures, liquid phase heat capacities, and vaporization enthalpies were treated simultaneously to obtain a consistent thermodynamic description.Comparisons with literature values are shown for all measured and derived properties. Furthermore, the developed recommended data were used to identify new molecular parameters for the studied solvents within the PC-SAFT (perturbed-chain statistical associating fluid theory) equation of state and to compare their performance with those published in earlier papers; improved performance of the new parameters was achieved.

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High-Pressure Volumetric Properties of Three Monoethylene Glycol Alkyl Ethers

Cited by 19 publications

References 32 publications

Volumetric Behavior of Some Motor and Gear-Boxes Oils at High Pressure: Compressibility Estimation at EHL Conditions

Volumetric Behavior of Some Motor and Gear-Boxes Oils at High Pressure: Compressibility Estimation at EHL Conditions

New Experimental Data and Modeling of Glymes: Toward the Development of a Predictive Model for Polyethers

Vapor Pressures and Thermophysical Properties of Dimethoxymethane, 1,2-Dimethoxyethane, 2-Methoxyethanol, and 2-Ethoxyethanol: Data Reconciliation and Perturbed-Chain Statistical Associating Fluid Theory Modeling

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