Recent years have seen a tremendous progress in the microscopic theoretical treatment of surfaces and processes on surfaces. While some decades ago a phenomenological thermodynamic approach was dominant, a variety of surface properties can now be described from first principles, i.e. without invoking any empirical parameters. Consequently, the field of theoretical surface science is no longer l...

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 multifractal scaling exponents are calculated for the critical wave function of a two-dimensional Dirac fermion in the presence of a random magnetic field. It is shown that the problem of calculating the multifractal spectrum maps into the thermodynamics of a static particle in a random potential. The multifractal exponents are simply given in terms of thermodynamic functions, such as free ...

The doping reaction of truncated boron nitride and carbon nanotubes with aluminium atom wastheoretically investigated. The AM1, PM3, and PM6 semiempirical methods have been used toevaluate the thermochemistry of doping reactions of single walled boron nitride nanotubes andcarbon nanotubes. The enthalpy changes, Gibbs free energy changes, and entropy changes of studieddoping reactions were evalu...

Neural network is one of the new soft computing methods commonly used for prediction of the thermodynamic properties of pure fluids and mixtures. In this study, we have used this soft computing method to predict the coefficients of the Antoine vapor pressure equation. Three transfer functions of tan-sigmoid (tansig), log-sigmoid (logsig), and linear were used to evaluate the performance of diff...

We have revised the thermodynamic database MALT to match the window’s environments and also to make it bilingual (English and Japanese). The main characteristic features are described with an emphasis on those functions which will be available in the new version. To facilitate the application of thermodynamic analysis on materials development and process analysis, the database MALT provides gen...

We briefly review analytic approximations of thermodynamic functions of fully ionized nonideal electronion plasmas, applicable in a wide range of plasma parameters, including the domains of nondegenerate and degenerate, nonrelativistic and relativistic electrons, weakly and strongly coupled Coulomb liquids, classical and quantum Coulomb crystals. We present improvements to previously published ...

We introduce the notion of ‘order-k non-abelian exclusion statistics’. We derive the associated thermodynamic equations by employing the Thermodynamic Bethe Ansatz for specific non-diagonal scattering matrices. We make contact with results obtained by different methods and we point out connections with ‘fermionic sum formulas’ for characters in a Conformal Field Theory. As an application, we de...