A quantitative understanding of the thermochemistry of cyclohexadienyl radical and 1,4-cyclohexadiene is beneficial for diverse areas of chemistry. Given the interest in these two species, it is surprising that more detailed thermodynamic data concerning the homolytic C-H bond enthalpies of such entities have not been forthcoming. We thus undertook an experimental and computational evaluation o...

Microcalorimetry is an excellent method of determining the thermodynamics of ligand–protein binding in solution, because the signal being measured is the observed binding enthalpy (Db-obsH [Editors’ note: this term can also be written DHobs or DbHobs as seen elsewhere in this book]), which is free of any model assumptions. The affinity (DbG) can be computed from the shape of a binding curve, an...

the relationship between relaxation and rhythmic exercises with regard to functional neuroplasticity mechanism is a subject that has been studied in recent researches. the purpose of this study was to investigate the effect of rhythmic exercises on the depth of relaxation in national judo athletes. 30 male athletes of national judo team were randomly selected and divided into three groups: cont...

There is a long history of trying to understand the dynamics glass-forming and other condensed materials exhibiting highly anharmonic interparticle interactions based on their thermodynamic properties. This has led numerous correlations between (e.g., density, compressibility, enthalpy, entropy, vapor pressure) dynamic viscosity, diffusion coefficients, relaxation times) properties, steady stre...

Intermolecular interactions involving aromatic pi-electron density are widely believed to be governed by the aromatic molecular quadrupole moment, Theta(zz). Arene-cation binding is believed to occur primarily with negative Theta(zz) aromatics, and arene-anion binding is believed to occur largely with positive Theta(zz) aromatics. We have performed quantum mechanical computations that show the ...

Elution and solvation processes in liquid chromatography may be controlled by temperature changes. In the case of solvent adsorption, the temperature influences the amount of adsorbed solvent as well as the enthalpy and entropy of the solvation process. In this work, the thermodynamic parameters of organic solvents used as organic modifiers in the reversed-phase high-performance liquid chromato...

Thermodynamic adsorption properties (differential enthalpy and entropy, spreading pressure and net integral enthalpy and entropy) of cassava flour were determined at 25, 30 and 35°C to provide information about the water and energy requirements for the sorption process. The Guggenheim–Anderson–de Boer (GAB), Peleg and Halsey models were found to adequately describe the sorption characteristics,...

This paper deals with the role of minor addition Cr on atomic rearrangement and crystallization evolution in a Zr-based bulk metallic glass. For this purpose, elements 1–4% percentage were added into alloying composition. The X-ray diffraction results indicated that trace element led to increase disordered structures glassy alloy decline population short medium scale orders. event was due inten...

Grain boundary segregation provides a method for stabilization of nanocrystalline metals – the selection of an alloying element that will segregate to the boundaries can lower the grain boundary energy, attenuating the driving force for grain growth. The segregation strength, relative to mixing enthalpy, of a binary system determines the propensity for segregation stabilization. This relationsh...

The adsorption of volatile organic compounds (VOCs), exemplified by benzene and methylethylketone (MEK), onto seven different types of activated carbon was investigated. Results show that for benzene adsorption the adsorption characteristic energy, enthalpy, free energy and entropy are in the range 17.12-36.86, -20.8 to -44.7, -11.89 to -16.22 kJ/mole and -29.4 to -85.3 J/mole/K, respectively. ...