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...

In this paper we report results for the prediction of thermodynamic properties based on neural networks, evolutionary algorithms and a combination of them. We compare backpropagation trained networks and evolution strategy trained networks with two physical models. Experimental data for the enthalpy of vaporization were taken from the literature in our investigation. The input information for b...

We review various simplified models that have been advanced to describe layering (complexion) transitions at grain boundaries in multicomponent solids. In particular, we first outline lattice-gas, off-lattice atomistic and thermodynamic models that have been employed to investigate phase-like behavior at segregated grain boundaries. The results of these investigations are summarized in the form...

As an aid to the development of hydrogen separation membranes, we predict the temperature dependent phase diagrams using first principles calculations combined with thermodynamic principles. Our method models the phase diagram without empirical fitting parameters. By applying thermodynamic principles and solid solution models, temperature-dependent features of the Cu-Pd-S system can be explaine...

Lie-algebaic and quantum-algebraic techniques are used in the analysis of thermodynamic properties of molecules and solids at high temperatures. In the framework of the algebraic models, the local anharmonic effects are described by a Morse-like potential, associated with the SU(2) algebra. The vibrational high-temperature properies, such as mean energy and specific heat, are studied in terms o...

Chapman-Enskog expansion is the orthodox approach to derive continuum flow models from Boltzmann’s kinetic equation for dilute gases. Beyond the Navier-Stokes-Fourier order, these models known as Burnett hydrodynamic-regime equations violate a number of fundamental mechanical and thermodynamic principles in their original forms. This has generated a widely investigated problem in the kinetic th...

In this paper we report results for the prediction of thermodynamic properties based on neural networks, evolutionary algorithms and a combination of them. We compare backpropagation trained networks and evolution strategy trained networks with two physical models. Experimental data for the enthalpy of vaporization were taken from the literature in our investigation. The input information for b...