Simulation of Fe-Ti-Sb Thernary Phase Diagram at Temperatures above 900 K

Heusler alloys have been considered as one of the most promising thermoelectric materials for electrical power generation in a temperature range of 500–800 °C. Establishment of phase diagrams allows one to predict formation, equilibria, and stability of phases in of these ternary alloys. In this work we report on the simulation and investigation of phase diagram and phase equilibria in ternary Ti-Fe-Sb system which is of considerable interest for thermoelectric applications. The simulation was carried out using the CALPHAD method in Pandat software. The existence of the thermoelectric Heusler TiFe1.5Sb phase was revealed in a temperature range from 970 to 1070 K. The equilibria between TiFe1.5Sb and other phases were determined. The entropy of formation was calculated for the phases existing at 970, 1020 and 1070 K using a fitting approach. A narrow equilibrium region containing pure body centered cubic Fe and TiFe1.5Sb was found.

Constraining the entropy of formation from young transiting planet

ABSTRACT Recently, K2 and TESS have discovered transiting planets with radii between ∼5 and 10 R⊕ around stars with ages <100 Myr. These young planets are likely to be the progenitors of the ubiquitous super-Earths/sub-Neptunes, which are well studied around stars with ages ≳1 Gyr. The formation and early evolution of super-Earths/sub-Neptunes are poorly understood. Various planetary origin scenarios predict a wide range of possible formation entropies. We show how the formation entropies of young (∼20–60 Myr), highly irradiated planets can be constrained if their mass, radius, and age are measured. This method works by determining how low-mass an H/He envelope a planet can retain against mass-loss, this lower bound on the H/He envelope mass can then be converted into an upper bound on the entropy. If planet mass measurements with errors ≲20 per cent can be achieved for the discovered young planets around DS Tuc A and V1298 Tau, then insights into their origins can be obtained. For these planets, higher measured planet masses would be consistent with the standard core-accretion theory. In contrast, lower planet masses (≲6–7 M⊕) would require a ‘boil-off’ phase during protoplanetary disc dispersal to explain.

Thermodynamic Investigation of Polyhydroxylated Derivatives of Light Fullerenes

Isobaric heat capacities of C[Formula: see text](OH)[Formula: see text] and C[Formula: see text](OH)[Formula: see text] fullerenols were measured using adiabatic calorimetry in the temperature range of 0–320[Formula: see text]K along with standard thermodynamic functions: [Formula: see text], [[Formula: see text]] and [[Formula: see text]]. Furthermore, the molar entropy of formation and the molar third law entropy of C[Formula: see text](OH)[Formula: see text] and C[Formula: see text](OH)[Formula: see text] in crystalline state at 298.15[Formula: see text]K were calculated.

Scientific and Practical Bases of a Method of Reception of Thin-Layer Heat-Insulating Coverings

The paper presents a brief overview of the thin-layer thermal insulation paints used now and their characteristics. A new composition of thin-layer heat-insulation coating is proposed. The introduction of solid phases of non-autoclaved foam concrete with the average density D150 with high values of the standard entropy of formation in it is scientifically substantiated from the point of view of increasing the thermal protection properties. It is shown that such phases have an advantage in comparison with the solid phases of the glass and ceramic microspheres used now. It is also proved that the presence of thin-layer thermal insulation coating of nanoscale particles in the form of silica in the composition favours the reflection of the incident heat flux due to the Tindal effect and provides an increase in the polydispersity of the composition. The calculation of the resulting composition by the Van Vleсk formula used in the classical science is given.

A Rational Study of the Origin and Generality of Anti-Enthalpy–Entropy Compensation (AEEC) Phenomenon

In addition to enthalpy–entropy compensation (EEC), anti-enthalpy–entropy compensation (AEEC) phenomenon is also found in literature. The reports on the latter are limited, and analyses and justifications are so far unclear. Herein we present demonstration on the nature and possibility of the AEEC phenomenon. Although literature reports so far have mostly shown linear AEEC, we have found both linear and non-linear dependences. The non-linearity we consider arises from large “free energy window” (FEW) like EEC, recently presented and discussed. Attempts have been made to rationalize the observations in terms of solvation–desolvation phenomenon of the involved processes anticipated in previous studies. We have found that enthalpy and entropy of formation of gaseous and solid materials may also exhibit AEEC, it can be thus classified as a global phenomenon. In addition to AEEC, the phenomenon of no-enthalpy–entropy compensation (NEEC) is also reported. Thus, the phenomena EEC, AEEC and NEEC are thermodynamic puzzles that require close attention and analysis. With the help of wide range of physical chemical processes, an elaborate general understanding of the linear and non-linear AEEC phenomena has been attempted. The experimental data herein used are collected from literature reports, new measurements were not done. A variety of examples have supported possible generality of AEEC.

Benchmark thermochemistry of chloramines, bromamines, and bromochloramines: halogen oxidants stabilized by electron correlation

The free energy of the formation of NH2Br at 298 K can be estimated by taking into account the total atomization energy of NH2Br and the atomic and molecular contributions to the enthalpy and the entropy of formation of NH2Br at 0 K and 298 K.