Molar excess enthalpies, volumes, and Gibbs free energies of methanol – isomeric butanol systems at 25 °C

Abstract

The vapor-liquid equilibria of the 4 binary systems formed by mixing methanol with 11-butanol, isobutanol, see-butanol, and tert-butanol were investigated at 25 "C in a dynamic still with circulation. The results were used to calculate the molar excess Gibbs free energies. For the three systems containing isobutanol, see-butanol, or tert-butanol, molar excess enthalpies and volumes were also determined (mainly at 25 "C) by direct calorimetric and dilatometric techniques. The behavior of the excess properties is discussed with reference to differences in the hydrogen bonding and in the shapes of the component molecules.Canadian Journal of Chemistry, 48, 2457(1970) Previous publications from our laboratory impurities when passed through a variety of column have described measurements of the molar excess packings in an analytical chromatograph (perkin-~lmer Model 154, equipped with a hot wire detector). with sec-butanol (2-butanol) and with tert-did not occur readily and, apart from one exception butanol(2-methyl-2-propanol).

Excess enthalpy, volume, and Gibbs free energy of n-propanol – isopropanol mixtures at 25 °C

“…It is interesting to compare the thermodynamic behaviol of the present system with that of systems formed by mixing methanol with the various isomeric butanols (7). The behavior of the present system parallels most closely that of the system methanolsec-butanol although Can there is no variation in the sign of TSE as observed for the latter.…”

Activity coefficients of binary methanol alcohol mixtures from cluster weighting

“…This approach relies on the binary quantum cluster equilibrium theory. [23][24][25]60] With respect to our previous work, [25] we increased the maximal size of the clusters from six to nine molecules, ensuring a better accuracy in the quantum cluster approach simulations. Furthermore, we studied a much wider range of MeOH-alcohol mixtures.…”

“…In this article we applied the quantum cluster approach to calculate the activity coefficient of different methanol/alcohol mixtures. This approach relies on the binary quantum cluster equilibrium theory . With respect to our previous work, we increased the maximal size of the clusters from six to nine molecules, ensuring a better accuracy in the quantum cluster approach simulations.…”

“…[24,25,35,59] All calculations were performed at a fixed pressure of 1.01325 bar and temperature ranging from 273 to 500 K. Cluster volumes were calculated employing van der Waals volumes. The parameters a mf and b xv were fitted so that the deviation of bQCE results to experimental boiling points and densities taken from literature [60,[73][74][75][76][77] become minimal. Different to our earlier works, here, we employed the Nelder-Mead optimization algorithm.…”

Thermodynamic Properties of Aqueous Organic Solutes in Relation to Their Structure. Part I. Free Energy of Transfer from H2O to D2O for a Series of Isomeric Ketones

“…In studies involving different isomers on the hydrophobic portion, noticeable differences are found among the properties of the isomers; for example the partial molal volumes of the isomeric butanols in water are measurably different (15,16). Little can be gained from this information, however, since the solvation of the polar group of these small molecules could make an important contribution to their thermodynamic properties, and since similar differences are found in the thermodynamic properties of the isomeric butanols in methanol (22).…”