New measurements and modeling of high pressure thermodynamic properties of glycols

Crespo, Emanuel A.; Costa, João Miguel Lopes; Hanafiah, Zulhakimiali B.M.A.; Kurnia, Kiki A.; Oliveira, Mariana B.; Llovell, Fèlix; Vega, Lourdes F.; Coutinho, João A. P.

doi:10.1016/j.fluid.2017.01.003

Cited by 40 publications

(83 citation statements)

References 21 publications

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“…c Gallaugher and Hibbert (1936) at 20 • C. d Lugg (1968). e Crespo et al (2017). f Oakwood Chemical.…”

Section: Methodsmentioning

confidence: 99%

“…Samples of the same batch were shared for measurements with all five experimental systems. Melting points measured by differential scanning calorimetry and refractive indices measured with an Abbe-type refractometer are given in Table 1 as well as measured (Crespo et al, 2017) and estimated (Poling et al, 2001) densities. Also given are estimations for the gas phase diffusivity in air.…”

Section: Methodsmentioning

confidence: 99%

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A reference data set for validating vapor pressure measurement techniques: homologous series of polyethylene glycols

Krieger¹,

Siegrist²,

Marcolli³

et al. 2018

Atmos. Meas. Tech.

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Abstract. To predict atmospheric partitioning of organic compounds between gas and aerosol particle phase based on explicit models for gas phase chemistry, saturation vapor pressures of the compounds need to be estimated. Estimation methods based on functional group contributions require training sets of compounds with well-established saturation vapor pressures. However, vapor pressures of semivolatile and low-volatility organic molecules at atmospheric temperatures reported in the literature often differ by several orders of magnitude between measurement techniques. These discrepancies exceed the stated uncertainty of each technique which is generally reported to be smaller than a factor of 2. At present, there is no general reference technique for measuring saturation vapor pressures of atmospherically relevant compounds with low vapor pressures at atmospheric temperatures. To address this problem, we measured vapor pressures with different techniques over a wide temperature range for intercomparison and to establish a reliable training set. We determined saturation vapor pressures for the homologous series of polyethylene glycols (H−(O−CH 2 −CH 2 ) n −OH) for n = 3 to n = 8 ranging in vapor pressure at 298 K from 10 −7 to 5 × 10 −2 Pa and compare them with quantum chemistry calculations. Such a homologous series provides a reference set that covers several orders of magnitude in saturation vapor pressure, allowing a critical assessment of the lower limits of detection of vapor pressures for the different techniques as well as permitting the identification of potential sources of systematic error. Also, internal consistency within the series allows outlying data to be rejected more easily. Most of the measured vapor pressures agreed within the stated uncertainty range. Deviations mostly occurred for vapor pressure values approaching the lower detection limit of a technique. The good agreement between the measurement techniques (some of which are sensitive to the mass accommodation coefficient and some not) suggests that the mass accommodation coefficients of the studied compounds are close to unity. The quantum chemistry calculations were about 1 order of magnitude higher than the measurements. We find that extrapolation of vapor pressures from elevated to atmospheric temperatures is permissible over a range of about 100 K for these compounds, suggesting that measurements should be performed best at temperatures yielding the highest-accuracy data, allowing subsequent extrapolation to atmospheric temperatures.

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“…c Gallaugher and Hibbert (1936) at 20 • C. d Lugg (1968). e Crespo et al (2017). f Oakwood Chemical.…”

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

A reference data set for validating vapor pressure measurement techniques: homologous series of polyethylene glycols

Krieger¹,

Siegrist²,

Marcolli³

et al. 2018

Atmos. Meas. Tech.

View full text Add to dashboard Cite

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“…Aliphatic diols (glycols) are chemical compounds containing two hydroxyl groups [1]. Diols are typical reactants and intermediates in a wide range of reactions of esters, aldehydes, amines, azides, carboxylic acids, ethers, as well as in resin formation [2]. These compounds are often used as raw material in the polymer industry because of their hygroscopicity, noncorrosiveness, high boiling points, and solvent properties.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and Modification by Carbonization of Styrene–Ethylene Glycol Dimethacrylate–Lignin Sorbents and their Sorption of Acetylsalicylic Acid

et al. 2020

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This paper deals with the synthesis and studies of new polymer microspheres properties based on ethylene glycol dimethylacrylate (EGDMA), styrene (St), and various quantities of commercial kraft lignin (L). In the first stage of the investigations, the conditions of the synthesis process were optimized by selecting a proper amount of poly (vinyl alcohol), which was a suspension stabilizer. Next, based on EGDMA + St + L, new polymers were synthesized by the suspension polymerization method. The chemical structure of the materials was confirmed by means of the Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) analysis. The evaluation of the synthesized materials includes susceptibility to swelling in solvents of different character (polar and nonpolar), porous structure of microspheres, and their thermal resistance. Morphology has been specified by the scanning electron microscope and automated particle size, as well as shape analyzer. The obtained pictures confirmed the spherical shape of the materials. The microspheres porosity was characterized using the low-temperature nitrogen adsorption. To increase the porosity (partially blocked by the large lignin molecule), the microspheres (EGDMA + St + 4L copolymer) were impregnated with the aqueous solution of the activating substance (sulphuric acid, nitric acid, phosphorous acid, and silver nitrate) and then carbonized at 400 • C. After the carbonization process, the increase in the specific surface area was observed. The microspheres were porous with a specific surface area up to 300 m 2 /g. The materials had a desirable feature for their potential use in chromatography, which was confirmed by the results of GC analysis with the acetylsalicylic acid. These materials are an interesting alternative in the field of more environmentally friendly, ecological, and biodegradable polymeric sorbents in comparison to the commonly applied styrene-divinylbenzene (St-DVB) copolymers.

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“…The new association schemes and parameter sets were also evaluated against newly published density data from Crespo et al [33] which extend to pressures up to 950 bar. The results are shown in Table 2, with figures for each isotherm available in the Supplementary Materials.…”

Section: Accepted Manuscriptmentioning

confidence: 99%

“…This would suggest a degree of equivalence between the saturated density and these data, at least for parameter estimation purposes. This hypothesis was briefly tested by repeating the bootstrap algorithm and optimization by using the data of Crespo et al [33] instead of the saturated density data. The optimal parameter sets were found to be very similar to those determined using saturated density data.…”

Section: Accepted Manuscriptmentioning

confidence: 99%

New association schemes for mono-ethylene glycol: Cubic-Plus-Association parameterization and uncertainty analysis

Kruger

Kontogeorgis

Solms

2018

Fluid Phase Equilibria

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New measurements and modeling of high pressure thermodynamic properties of glycols

Cited by 40 publications

References 21 publications

A reference data set for validating vapor pressure measurement techniques: homologous series of polyethylene glycols

A reference data set for validating vapor pressure measurement techniques: homologous series of polyethylene glycols

Synthesis and Modification by Carbonization of Styrene–Ethylene Glycol Dimethacrylate–Lignin Sorbents and their Sorption of Acetylsalicylic Acid

New association schemes for mono-ethylene glycol: Cubic-Plus-Association parameterization and uncertainty analysis

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