The bond dissociation energy (enthalpy) is also referred to as bond disruption energy, bond energy, bond strength, or binding energy (abbreviation: BDE, BE, or D) . It is defined as the standard enthalpy change of the following fission: R−X → R + X . The BDE, denoted by Do(R−X), is usually derived by the thermochemical equation, Do(R−X) = ∆fH o(R) + ∆fH o(X) – ∆fH o(RX) . The enthalpy of format...

In this study, the reaction of 3-Picrylamino-1, 2, 4-Triazole (PATO) with B12N12 was investigated by density functional theory in the B3LYP/6-31G(d) level of theory. There were two possible isomers for reaction of PATO with B12N12 via carbon and nitrogen atoms of triazole ring to the Born atom of B12N12 (I and II-isomers). Thermo...

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...

The relationship between the Randic , Wiener, Hosoya , Balaban, Schultz indices, Harary numbers andDistance matrix to enthalpies of formation (Airf), heat capacity, (Cp) , enthalpies of combustion (AH °c ),enthalpy of vaporization (AH °vap) and normal boiling points (bpK)of C2 C10 normal alkanes isrepresented

The U-Zr phase diagram has been the subject of many recent studies, particularly for development metallic fuels future fast reactors. so-called δ-UZr2 is part this renewed interest as it likely to be formed during irradiation U-Zr10wt% fuel. Although several structural there a single experimental determination its enthalpy formation by dissolution calorimetry. Most Calphad and DFT models rely o...

using uv-vis spectrophotometric method the interaction of water soluble phthalocyanine, cobalt(ιι) 4,4′,4′′,4′′′- tetrasulfophthalocyanine(cotspc), with bovine serum albumin (bsa) to determine the formation constant and related thermodynamic functions. the measurements were considered in 1mm sodium phosphate buffer, ph 7.0 and at 5 different temperatures 20, 25, 30, 35 and 40ºc. the results sho...

In this research, the enthalpy of interaction cellulose and esters with various polar liquids was studied. Besides, standard enthalpies combustion formation its were determined. It shown that absolute value exothermic is an indicator accessibility supramolecular structure for these liquids. has been also established materials water, i.e., wetting enthalpy, directly proportional to content non-c...