Density−Pressure Relationship in Hydrogen-Bonded Mixtures:  1,4-Butanediol + 1-Dodecanol

Abstract

The pressure dependence of the molar volume of the 1,4-butanediol + 1-dodecanol system has been measured at 298.15 K for 0.1 ≤ P/MPa ≤ 40.0 and for the whole concentration range. All the results can be described by an equation with a single fitting parameter which takes a value similar to those obtained for non-hydrogen-bonded mixtures. The volumetric results at ambient pressure can be described by a lattice-fluid theory which incorporates the effect of the hydrogen bonds. The same theory is able to reproduce the compressibility of the pure components over the whole pressure range. However, it is not able to predict the compressibility of the mixtures nor the excess Gibbs energy.

The effect of temperature and pressure on acoustic and thermodynamic properties of 1,4-butanediol. The comparison with 1,2-, and 1,3-butanediols

“…It appears that the values of density obtained by us are in satisfactory agreement with those obtained directly by Compostizo et al [33]; the comparison gave an AAD = 0.04%. However, the deviations show a systematic shift, i.e., the values of Compostizo et al [33] are smaller, and simultaneously, the higher pressure the higher deviations (À0.017% at p = 0.1 MPa and À0.059% at p = 40 MPa). In the case of one point data of Hamann and Smith [32], no comparison was performed because solidification was observed near 100 MPa at T = 303.15 K, i.e., somewhat below the pressure for which the compression qðT; pÞ ¼ q 0 ðT; p 0 Þ=½1 À C Á lnððp þ BðTÞÞ=ðp 0 þ BðTÞÞÞ ð10Þ where q 0 is the temperature-dependent density at the reference pressure (here 0.101325 MPa), B(T) is the temperature-dependent coefficient in form B(T) = A 1 + A 2 Á (T/100) + A 3 Á (T/100) 2 , and C is the temperature-independent coefficient.…”

“…In practice, we have found only two papers, i.e., the isothermal-isobaric (T = 303.15 K, p = 101.3 MPa) data of Hamann and Smith [32] (Aime method) and isothermal (T = 303.15 K, p up to 40 MPa) data of Compostizo et al [33] (direct measurements by means of a vibrating-tube densimeter). It appears that the values of density obtained by us are in satisfactory agreement with those obtained directly by Compostizo et al [33]; the comparison gave an AAD = 0.04%. However, the deviations show a systematic shift, i.e., the values of Compostizo et al [33] are smaller, and simultaneously, the higher pressure the higher deviations (À0.017% at p = 0.1 MPa and À0.059% at p = 40 MPa).…”

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

“…Relative deviations between experimental data, ρ exp , and values, ρ cal , calculated with eq for the density of 1-dodecanol as a function of temperature: square - this work; red open circle - Krafft; triangle - Costello and Bowden; inverted triangle - Geiseler et al; diamond - Findenegg; left-pointing triangle - Hales and Ellender; right-pointing triangle - Diaz Peña and Tardajos; hexagon - Gaikwad and Subrahmanyam; star - Matsuo and Makita; pentagon - Naziev et al; blue open circle - Liew et al; plus sign - Garg et al; cross - Saleh et al; asterisk - Compostizo et al …”

“…The experimental results are in good agreement with eq 1 with an AAD of 0.07% and an MAD of 0.17%. Data from Compostizo et al 22 were obtained at 298.15 K over the pressure range of 0.68 to 6.87 MPa with deviations ranging from 0.10 to 0.18%. The density data reported by Naziev et al 23 were consistently lower than those determined in this work and other datasets.…”

Molecular Dynamics Study on the Effect of Solvent Adsorption on the Morphology of Glycothermally Produced α-Al2O3 Particles

“…The density was determined by using the Compostizo method. 24,25 The thin film had a nominal thickness of 34.5 Å. Upon energy minimization using the COMPASS force field, the thin film was assembled with respective alumina slabs.…”