In this investigation, the influence of doping graphene with silicon in the adsorption of alanine amino acid was inspected computationally. For this purpose, the structures of pure graphene, silicon doped graphene, alanine and 10 derived products of the alanine reaction with pure and silicon doped nano-adsorbents were optimized geometrically. Afterwards, the values of adsorption energy, formati...

The kinetics and thermodynamics of berberine inclusion in cucurbit[7]uril was studied by stopped-flow method, fluorescence titrations, and isothermal calorimetry in neat water. The ~500-fold fluorescence intensity enhancement upon encapsulation was exploited to monitor the complex formation in real time at various temperatures. The increase in the fluorescence intensity could be fitted well by ...

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 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...

Abstract: Guinier-Preston (GP) zone formation and precipitation behavior of T1 (Al2CuLi) phase during the ageingof an Al-Cu-Li-Zr alloy was studied by differential scanning calorimetry (DSC) technique and electrical resistancemeasurement of the samples. Results show that endothermic effects in the thermograms of the alloy between 180°Cand 240°C can be related to the enthalpy of GPzones dissolut...

a thermodynamic study of copper ions by jack bean urease (jbu) was carried out at two temperatures of 27 and 37?c in tris buffer (30 mm; ph=7.0) using an isothermal titration calorimetry. there is a set of twelve identical and non-interacting binding sites for copper ions. the intrinsic dissociation equilibrium constant and the molar enthalpy of binding are 285 µm and ?15.2 kj/mol at 27?c and 3...

The interaction of Congo Red CR with a series of Alkyltrimethylamoniumbromide CnTAB, N-hexadecylpyridinium bromide CPB and N-hexadecylpyridinium CPC were investigated using conductometry technique. It was observed that the formation of dye-surfactant ion pairs takes place at surfactant concentration far below the critical micelle concentration of the individual surfactants. Aggregation was refl...

Phase stabilities of Hf-Si-O and Zr-Si-O have been studied with first-principles and thermodynamic modeling. From the obtained thermodynamic descriptions, phase diagrams pertinent to thin film processing were calculated. We found that the relative stability of the metal silicates with respect to their binary oxides plays a critical role in silicide formation. It was observed that both the HfO2/...