The high temperature asymptotics of the Helmholtz free energy of electromagnetic field subjected to boundary conditions with spherical and cylindrical symmetries are constructed by making use of a general expansion in terms of heat kernel coefficients and the related determinant. For this, some new heat kernel coefficients and determinants had to be calculated for the boundary conditions under ...

the acidity constants (pka) of thirty four (34) ;-substituted carboxylic acids in aqueous solution havebeen calculated using conductor-like polarizable continuum (c-pcm) solvation model. the gasphaseenergies at the density functional theory (dft-mpw1pw91) and solvation energies athartree fock (hf) are combined to estimate the pka values which are very close to the experimentalvalues where, and ...

We devise automated workflows for the calculation of Helmholtz and Gibbs free energies their temperature pressure dependence provide corresponding computational tools. employ non-equilibrium thermodynamics evaluating energy solid liquid phases at a given reversible scaling computing over wide range temperatures, including direct integration $P$-$T$ coexistence lines. By changing chemistry inter...

A two parameters equation of state (EOS) for nonaqueous electrolyte solutions system has been developed. The equation is in terms of Helmholtz free energy and incorporated with results of low density expansion of non-primitive mean spherical approximation. The EOS was tested for experimental data reported in literatures of 9 nonaqueous single electrolyte solutions of which the temperature was 2...

The four thermodynamic potentials, the internal energy u 1⁄4 uð ij; sÞ, the Helmholtz free energy f 1⁄4 f ð ij; T Þ, the Gibbs energy g 1⁄4 gðrij; T Þ and the enthalpy h 1⁄4 hðrij; sÞ are derived, independently of each other, by using the Duhamel–Neumann extension of Hooke’s law and an assumed linear dependence of the specific heat on temperature. A systematic procedure is then presented to exp...

In this work, we investigate the effects of a nontrivial topology (and geometry) system considering interacting and noninteracting particle modes, which are restricted to follow closed path over torus surface. order present prominent thermodynamical investigation configuration, carry out detailed analysis using statistical mechanics within grand canonical ensemble approach deal with fermions. a...

In this paper, via employing the uniformly modified form of generalized off-shell Helmholtz free energy, we investigate topological numbers for four-dimensional neutral Lorentzian Taub-NUT, Taub-NUT-AdS and Kerr-NUT spacetimes, find that these solutions can also be classified into one three types those well-known black hole solutions, which implies spacetimes should viewed as generic holes from...

Abstract We present analytical formulae for the first and second derivatives of Helmholtz free energy non‐relativistic ideal Fermi gas. Important thermodynamic quantities such as heat capacity, sound velocity, capacity ratio, others are explicitly expressed through derivatives. demonstrate correct Boltzmann gas low‐temperature asymptotes derive corrections to functions these limiting cases. Num...

These expository notes propose to follow, across fields, some aspects of the concept of entropy. Starting from the work of Boltzmann in the kinetic theory of gases, various universes are visited, including Markov processes and their Helmholtz free energy, the Shannon monotonicity problem in the central limit theorem, the Voiculescu free probability theory and the free central limit theorem, ran...

A new interpretation of the pretransitional temperature behavior of the static dielectric permittivity and its derivative in terms of the basic thermodynamic quantities: the internal energy, the entropy, and the Helmholtz free energy is presented. It was shown that in the case of strongly polar mesogenic compounds (as the homologous series of alkylcyanobiphenyls) the electric field-induced incr...