In cooperative molecular dynamics, the molecules of glass-forming liquids are partitioned to sub-molecular units named “beads”. The beads have been empirically defined. Recently, a method for measuring has suggested. this difference between entropy liquid and crystal, known as excess entropy, used. Here, it is found that all other thermodynamic quantities functions number in molecules, their ca...

Using the Algebraic Bethe Ansatz we consider the correlation functions of the integrable higher spin chains. We apply a method recently developed for the spin 12 Heisenberg chain, based on the solution of the quantum inverse problem. We construct a representation for the correlation functions on a finite chain for arbitrary spin. Then we show how the string solutions of the Bethe equations can ...

The ion-pair association constant values, related to the reaction +  were determined by means of the NMR spectroscopy. The values of the thermodynamic functions of the ion pairing process were calculated on the basis of the NMR results. In addition, the association entropy was found to be dependent on the temperature. Comparing the experimental data and the Fuoss theory it is found that  ion-pa...

The unique opportunities and features of high temperature mass spectrometric method for study vaporization processes and thermodynamic properties of oxide systems and materials (glasses, ceramics and coatings) were considered. Various types of vapour species were found over oxide systems studied such as the associated, dissociated and polymerized products of vaporization. The regularities of th...

A new general algorithm for optimization of potential functions for protein folding is introduced. It is based upon gradient optimization of the thermodynamic stability of native folds of a training set of proteins with known structure. The iterative update rule contains two thermodynamic averages which are estimated by (generalized ensemble) Monte Carlo. We test the learning algorithm on a Len...

The bond percolation problem is studied by the Monte Carlo method on a two-dimensional square lattice of 2 X lo6 bonds. Through the inclusion of a ghost field h, we obtain the generating function (the percolation analogue of the Gibbs free energy), percolation probability (the analogue of the spontaneous magnetisation), and mean cluster size (‘isothermal susceptibility’) as functions of two ‘th...

In this study, optimization of Qeshm power and water desalting cogeneration plant has been investigated. The objective functions are related to maximizing exergetic efficiency and minimization of exergoeconomic and exergoenvironmental parameters. Also, the integration of RO desalination with the existing plant has been evaluated based on these analyses. This plant includes two MAPNA 25 MW gas t...

We have developed an analytical equation of state (EOS) for magnetized fully-ionized plasmas that cover a wide range of temperatures and densities, from low-density classical plasmas to relativistic, quantum plasma conditions. This EOS directly applies to calculations of structure and evolution of strongly magnetized white dwarfs and neutron stars. We review available analytical and numerical r...

In the present research, we report the results of a systematic study on the adsorption properties of folic acid (FA) over functionalized single-walled carbon nanotubes (SWCNTs) using the various factors, such as adsorbent dose, contact time, temperature, and initial FA concentration. Our results reveal that SWCNT is an excellent adsorbent for folic acid, with an adsorption percentage of up to 7...