Solid‐liquid equilibria in n‐alkylbenzene + n‐alkane mixtures. A group contribution study of phase diagrams

Abstract

The solid‐liquid equilibrium diagrams of following 11 binary systems were determined: benzene, toluene, ethylbenzene, n‐propylbenzene, and n‐butylbenzene + n‐heptane or n‐tetradecane and benzene + n‐dodecane. All these diagrams could be calculated accurately (maximum deviation ca. 1 K) in terms of the group‐contribution theory (in the random mixing approximation) developed by Kehiaian et al. [7], which is essentially the surface version of the Guggenheim‐Barker lattice theory. Most interchange parameters were identical to those derived previously [7, 31, 33] from experimental data (liquid‐vapor equilibria, excess enthalpies, excess heat capacities). Where experimental data were lacking, the parameters were estimated and finely adjusted to the observed equilibrium diagrams.

Predictive Molecular Thermodynamic Models for Liquid Solvents, Solid Salts, Polymers, and Ionic Liquids

“…In the family of group-contribution methods, apart from the UNIFAC models, the DISQUAC (dispersive-quasichemical group-contribution) model − also can be used to predict the liquid-phase activity coefficients, but not as extensively as the UNIFAC models.…”

“…Kehiaian et al − first proposed the DISQUAC model and applied it to the prediction of solid−liquid equilibria in the mixtures of n -alkylbenzene and n -alkane and thermodynamic behavior of binary liquid organic mixtures. The research group of Gonzalez et al − ,− are always engaged in a systematic study on the ability of DISQUAC model to predict SLE (solid−liquid equilibria), LLE, VLE, and excess enthalpy, H E , of the mixtures.…”

Solubilities of Some Long-Chain n-Alkanes in Dipropyl Ether, Dibutyl Ether, 1-Chlorobutane, and 1-Chlorooctane as Functions of Temperature

“…This conclusion has been commonly recognized since many solubility measurements were performed using the technique based on the crystal disappearance temperatures only. [11][12][13] The heating rate in the cited papers varied between (0.06 up to 0.4) K‚min -1 , and a good reproducibility was claimed. Hence the rate used in this experiment, being lower than 0.06 K‚min -1 , seemed to be sufficiently low.…”