The general mathematical formulation of the equilibrium statistical mechanics based on the generalized statistical entropy for the first and second thermodynamic potentials was given. The Tsallis and Boltzmann-Gibbs statistical entropies in the canonical and microcanonical ensembles were investigated as an example. It was shown that the statistical mechanics based on the Tsallis statistical ent...

An ion imprinted polymer (IIP) based on aniline-formaldehyde was synthesized and then modified with extra aniline as cross-linker in the presence and absence of Sr (II) as the template to produce ion imprinted poly(aniline-formaldehyde) (IIPAF) and non imprinted poly(aniline-formaldehyde) (NIPAF). The sorbent was characterized by Fourier Transform Infrared Spectroscopy and was used for solid ph...

A numerical framework has been proposed to model the interacting effects of mixture non-ideality and mass transfer on hydrodynamics of a multiphase system using CFD methods.Mass transfer during condensation and vaporization is modeled by chemical potential at the liquid-vapor interface. Species mass transfers are related to the diffusion at the interface which in turn is related to the conc...

In this paper we used a previously reported model for examining the adsorption of nonelectrolytes in solution by solid adsorbents to study the adsorption of lithium(I) cations by acid and sodium amberlites, which is an ion-exchange process. Based on the results, both are equilibrium processes and obey a kinetic law with a unity partial order in the Li+ concentration. The kinetic results were us...

Removal of fluoride ions was investigated using a new adsorbent of yttrium alginate biocomposite (YALG). Effect of various parameters such as pH, contact time, initial concentration of fluoride ions and temperature on the sorption capacity of adsorbent was studied. Performing a mathematical assessment of fluoride sorption, isotherm and kinetics models including Freundlich & Langmuir isotherms a...

A rigorous statistical-mechanical approach is adopted to derive general quantitative expressions that allow for the effects of thermodynamic nonideality in equilibrium measurements reflecting interaction between dissimilar macromolecular reactants. An analytical procedure based on these expressions is then formulated for obtaining global estimates of equilibrium constants and the corresponding ...

It has recently become possible to calculate the free energy and other thermodynamic functions of solids and liquids using density functional theory to treat the quantum mechanics of the electrons. We present the main ideas that have made this possible, emphasizing the key role of thermodynamic integration and the importance of well-adapted reference systems in the computation of the free energ...

A new model for equilibria at the interface of a sparingly soluble crystal is reviewed. It provides that several kinds of equilibria are present and each type is characterized by (i) a set of species that are transported across the phase boundary, (ii) a set · of chemical reactions which describe this transport process, and (iii) a set of thermodynamic expressions which define equilibrium. Thre...