In this work, the solubility of dimethyl terephthalate (DMT) in alcohols (methanol, ethanol, n-propanol, i-propanol, n-butanol, and i-butanol), esters (ethyl acetate, i-propyl acetate, n-propyl acetate, n-butyl acetate, n-amyl acetate, and methyl propionate), ketones (acetone, methyl ethyl ketone, and cyclohexanone), acetonitrile, and chloroform was experimentally determined. The solubility of DMT in these solvents follows the order: chloroform > esters and ketones > acetonitrile > alcohols and increases with increasing temperature. The solubility of DMT as a function of temperature has been regressed in terms of three semiempirical models (modified Apelblat, λh, and three-parameter Van’t Hoff) and two activity coefficient models (Wilson and nonrandom two-liquid), which gave a maximum relative average deviation of 2.32% and a maximum root-mean-square deviation of 31.63 × 10–5. Better fittings were obtained with the activity coefficient models. In addition, the mixing properties (Gibbs energy, enthalpy, entropy, as well as activity coefficients and reduced excess enthalpy at infinitesimal concentration) were evaluated using the Wilson model.

In this work, the solubility of bezafibrate in 16 pure solvents including 9 alcohols (methanol, ethanol, n-propanol, iso-propanol, n-butanol, iso-butanol, sec-butanol, 1-pentanol, and iso-pentanol), 4 alkyl acetate (ethyl acetate, n-propyl acetate, n-butyl acetate, and methyl propionate), 2 ketones (methyl ethyl ketone and cyclohexanone) and one nitrile (acetonitrile) and in binary mixed solvents (methanol + acetonitrile) at temperature of 283.15–323.15 K was determined. The solubility of bezafibrate in pure solvents was simulated using modified Apelblat, Van’t Hoff, Wilson, and NRTL model. That in binary mixed solvents was simulated using the modified Apelblat and Apelblat–Jouyban–Acree model. The thermodynamic mixing properties (Δmix G, Δmix H, Δmix S, γ1 ∞, and H 1 E,∞) of the bezafibrate-pure solvent systems were evaluated based on the solubility data and Wilson model.

Transition-metal spinel oxides have attracted considerable interest as high-performance electrodes for electrochemical energy storage and conversion, where irreversible or reversible spinel–rocksalt (S–R) phase transformation at the oxide surface has been frequently observed, which sensitively controls their performance. Exploring key factors controlling the S–R transformation and its reversibility at the atomic scale is important for understanding the electrochemical performance of spinel oxides. Using Co3O4 nanoparticles as an example, which represent a promising electrocatalyst for the oxygen evolution reaction, we present in situ atomic-scale imaging of the S–R transformation by using aberration-corrected scanning transmission electron microscopy combined with the integrated differential phase contrast imaging technique to visualize oxygen anions and transition-metal cations simultaneously. We reveal that the S–R transformation is not only determined by the oxygen vacancy formation energy but also largely controlled by the surface polarity of the reconstructed rocksalt layer, leading to a faster S–R transformation at the (001) surface than the (111) surface. Moreover, cobalt and oxygen vacancies are directly identified at the spinel/rocksalt interface, leading to the formation of an intermediate defective rocksalt phase and a two-step S–R transformation process. The existence of the intermediate defective rocksalt phase or not decisively controls the reversibility of the two-step S–R transformation. The uncovered facet dependence and vacancy-controlled reversibility of the S–R transformation provide important insights into the shape-dependent reactivity and stability of spinel oxide electrodes for electrochemical energy applications.

In this paper, a finite element (FE) model is developed to investigate lattice hydrogen diffusion in a solid metal under the influence of stress and temperature gradients. This model is applied to a plate with a circular hole which is subjected to temperature and hydrogen concentration gradients. It is demonstrated that temperature gradients significantly influence hydrogen diffusion and hence susceptibility to hydrogen embrittlement when utilizing hydrogen for gas turbines.