Turbulence is a very nonequilibrium state of nature, which becomes stationary if energy is supplied permanently at large scales. To construct a theory of turbulence means to describe temporal and spatial distributions of velocity and variety of different thermodynamic characteristics of the fluid, i.e., density if turbulence is compressible, temperature if thermo-advection is applied, relative ...

Ionizing radiation alters DNA strands and mainly creates multiply damaged sites (MDS), e.g. two or more damaged sites within one or two turns of the DNA (10 to 20 base pairs). The thermodynamic behavior of DNA duplexes vary due to the altered stability induced by these lesions. In this work, we used the unrestrained molecular dynamics and thermodynamic integration free energy calculation method...

The analysis of various parameters of metal oxides and the search of criteria, which could be used during material selection for solid-state gas sensor pplications, were the main objectives of this review. For these purposes the correlation between electro-physical (band gap, electroconductivity, ype of conductivity, oxygen diffusion), thermodynamic, surface, electronic, structural properties, ...

This paper deals with the derivation of the Gibbs equation for a nonviscous gas in the presence of heat flux. The analysis aims to shed some light on the physical interpretation of thermodynamic potentials far from equilibrium. Two different definitions for the chemical potential and thermodynamic pressure far from equilibrium are introduced: nonequilibrium chemical potential and nonequilibrium...

solubility of hydrocarbons in water is important due to ecological concerns and new restrictions on the existence of organic pollutants in water streams. also, the creation of a thermodynamic model has required an advanced study of the phase equilibrium between water (as a basis for the widest spread muds and amines) and gas hydrocarbon phases in wide temperature and pressure ranges. therefore,...

ABSTRACT. The kinetic and thermodynamic parameters were studied for the extraction of caffeine in black tea leaves containing antioxidant dried limes (Citrus aurantifolia). Caffeine is widely used human consumption present any liquid suitable drinking except water. However, health environmental demerits make it significant to reduce much less concentration or decaffeination. Therefore, effect C...

A set of general questions about the thermodynamics of ionic processes in non—aqueous solutions and their dependence on composition and external conditions is discussed; thermodynamic approaches for ascertaining the role of a solvent, thermodynamic characteristics of solvation, methods of definition of standard thermodynamic characteristics, properties of non— aqueous solutions at lowered tempe...

In this study, first-principles periodic calculations with localized Gaussian type orbitals within a hybrid density functional theory approach were performed to study the electronic, structural, thermodynamic, and transport properties of InxGa1−xN nitride alloys. The compositions modeled in range 0.06<x<0.87 using 32-atom supercell. According previous studies, significant composition-dependent ...

In this work, the structural, elastic, electronic, thermodynamic, optical, and thermoelectric properties of cubic phase SnTiO3 employing first-principles calculation are examined. The calculations all parameters via various potentials such as LDA, PBE-GGA, WC-GGA, PBEsol-GGA, mBJ-GGA, nmBJ-GGA, HSE performed. computed band structure yields an indirect bandgap 1.88 eV with approach. optical have...