A 1:1 cocrystal of baicalein with nicotinamide

Cocrystallization of baicalein with nicotinamide yields a 1:1 cocrystal [systematic name: pyridine‐3‐carboxamide–5,6,7‐trihydroxy‐2‐phenyl‐4H‐chromen‐4‐one (1/1)], C₆H₆N₂O·C₁₅H₁₀O₅. The asymmetric unit contains one baicalein and one nicotinamide molecule, both in neutral forms. Molecules in the cocrystal form column motifs stabilized by an array of intermolecular hydrogen bonds.     

Size versus volume extensivity of a new class of density matrix functionals

Despite being size-extensive, the "second-generation" 1-matrix functionals for the electron-electron repulsion energy V(ee) yield vanishing correlation energy for the homogeneous electron gas. This failure is directly related to the idempotency condition imposed upon an auxiliary matrix that enters the expression for V(ee). In particular, the recently proposed Kollmar-Hess functional is not volume-extensive and thus is incapable of properly describing any delocalized system at its thermodynamic limit.     

Influence of rhodium additive on hydrogen electrosorption in palladium-rich Pd�CRh alloys

Hydrogen electrosorption into Pd-rich (>80?at.% Pd in the bulk) Pd?CRh alloys has been studied in acidic solutions (0.5?M H₂SO₄) using cyclic voltammetry and chronoamperometry. The influence of temperature (in the range between 283 and 328?K), electrode potential and alloy bulk composition on hydrogen electrosorption properties of Pd?CRh alloys is presented. It has been found that the additive of Rh to Pd?CRh alloys increases the maximum hydrogen solubility (for Rh bulk content below 10?at.%), decreases the potential of absorbed hydrogen oxidation peak and decreases the potential of the ???????? phase transition. Increasing temperature decreases the potential of absorbed hydrogen oxidation peak, the maximum hydrogen solubility, and the potential of the ???????? phase transition. The amounts of electrosorbed hydrogen for ??- and ??-phase boundaries, i.e., ??_max and ??_min, have been determined from the integration of the initial parts of current?Ctime responses in hydrogen absorption and desorption processes. The H/M ratio corresponding to ??_max increases with increasing Rh content, while for ??_min a maximum of H/M ratio is observed for the alloys containing ca. 95% Rh.     

The lattice generated by <Emphasis Type="Italic">τ</Emphasis>-quasicontinuous functions

The lattices generated by the families of quasicontinuous and τ-quasicontinuous functions are described.     

Thermodynamic property values of selected polycyclic aromatic hydrocarbons measured by differential scanning calorimetry

In this study, the use of differential scanning calorimetry (DSC) is demonstrated as a powerful technique that can provide accurate thermodynamic property values of environmental contaminants such as polycyclic aromatic hydrocarbons (PAHs). In total, 47 high purity PAH certified reference materials were selected and analysed by DSC. Their onset melting temperature, enthalpy of fusion and eutectic purity were calculated from the obtained melting endotherms. In addition, the entropy of fusion, which was calculated from the onset melting temperature and enthalpy of fusion, is presented. All measurements were evaluated in a metrologically rigorous manner, including measurement uncertainties.     

The Intensity of Heat Exchange between Rock and Flowing Gas in Terms of Gas-Geodynamic Phenomena

Gas-induced geodynamic phenomena can occur during underground mining operations if the porous structure of the rock is filled with gas at high pressure. In such cases, the original compact rock structure disintegrates into grains of small dimensions, which are then transported along the mine working space. Such geodynamic events, particularly outbursts of gas and rock, pose a danger both to the life of miners and to the functioning of the mine infrastructure. These incidents are rare in copper ore mining, but they have recently begun to occur, and have not yet been fully investigated. To ensure the safety of mining operations, it is necessary to determine parameters of the rock–gas system for which the energy of the gas will be smaller than the work required to disintegrate and transport the rock. Such a comparison is referred to as an energy balance and serves as a starting point for all engineering analyses. During mining operations, the equilibrium of the rock–gas system is disturbed, and the rapid destruction of the rock is initiated together with sudden decompression of the gas contained in its porous structure. The disintegrated rock is then transported along the mine working space in a stream of released gas. Estimation of the energy of the gas requires investigation of the type of thermodynamic transformation involved in the process. In this case, adiabatic transformation would mean that the gas, cooled in the course of decompression, remains at a temperature significantly lower than that of the surrounding rocks throughout the process. However, if we assume that the transformation is isothermal, then the cooled gas will heat up to the original temperature of the rock in a very short time (<1 s). Because the quantity of energy in the case of isothermal transformation is almost three times as high as in the adiabatic case, obtaining the correct energy balance for gas-induced geodynamic phenomena requires detailed analysis of this question. For this purpose, a unique experimental study was carried out to determine the time required for heat exchange in conditions of very rapid flows of gas around rock grains of different sizes. Numerical simulations reproducing the experiments were also designed. The results of the experiment and the simulation were in good agreement, indicating a very fast rate of heat exchange. Taking account of the parameters of the experiment, the thermodynamic transformation may be considered to be close to isothermal.