the interaction of p-sulphonatocalix [6] arene towards l-arginine and l-lysine has been studied inacidic aqueous solution (p1-1 2) using uv-vis spectrophotometric titration technique. the psulphonatocalix[6] arene was found to be able to form 1:1 complexe with amino acids in water.the values of the association constant were determined at different temperatures to evaluate thethermodynamic funct...

using hartree–fock (hf) and ِِdensity functional theory (dft) calculations the thermodynamic properties such as thermal energy , , thermal enthalpy , , thermal entropy , , thermal gibbs free energy , , heat capacity ,cv, and molecular structures of several species involving in keto↔enol tautomerism related to acetaldehyde (a), 5,5-dimethyl-1,3-cyclohexanedione (dimedone) and  acetylacetone (aa) h...

This paper deals with the derivation of the Gibbs equation for a nonviscous gas in the presence of heat flux. The analysis aims to shed some light on the physical interpretation of thermodynamic potentials far from equilibrium. Two different definitions for the chemical potential and thermodynamic pressure far from equilibrium are introduced: nonequilibrium chemical potential and nonequilibrium...

In this paper, the quantum chemistry calculations related to the structural parameter of the chromite and molybdate anions and the complexes obtained from them with the glycine and alanine amino acids were performed. The calculations were carried out using HF and DFT methods and in the base series 6-31G *. Thermodynamic studies related to the formation of complexes have been considered and thei...

For studying the thermodynamic properties of systems using statistical mechanics we propose an ensemble that lies in between the familiar canonical and microcanonical ensembles. From a comparative study of these ensembles we conclude that all these ensembles may not yield the same results even in the thermodynamic limit except at high temperatures. An investigation of the coupling between syste...

Thermodynamics has established in chemistry principally as a science determining possibility and direction of chemical transformations and giving conditions for their final, equilibrium state. Thermodynamics is usually thought to tell nothing about rates of these processes, their velocity of approaching equilibrium. Rates of chemical reactions belong to the domain of chemical kinetics. However,...

Ammoniated electrons exist in solutions of potassium amide in liquid ammonia which have reached thermodynamic equilibrium with hydrogen gas. By determining electron concentrations by electron spin resonance, an equilibrium constant of 10(5) at room temperature has been obtained.