Entropy2015, 17(10), 6783-6800; doi:10.3390/e17106783 (registering DOI) - published 7 October 2015 Show/Hide Abstract
Abstract: New patterns of steady-state chemical kinetics for continuously stirred-tank reactors (CSTR) have been found, i.e., intersections, maxima and coincidences, for two-step mechanism A↔B→C. There were found elegant analytical relationships for characteristics of these patterns (space times, values of concentrations and rates) allowing kinetic parameters to be easily determined. It was demonstrated that for the pair of species involved into the irreversible reaction (B and C), the space time of their corresponding concentration dependence intersection is invariant and does not depend on the initial conditions of the system. Maps of patterns are presented for visualization of their combinations and ranking in space time, and values of concentration and rates.
Entropy2015, 17(10), 6765-6782; doi:10.3390/e17106765 - published 5 October 2015 Show/Hide Abstract
Abstract: Low-energy instabilities in the hole-doped cuprates include, besides short range antiferromagnetic fluctuations and superconductivity, also ubiquitous translational and rotational symmetry breakings. The overwhelming majority of interpretations of these possibly related properties rely on mappings onto three bands spanned by the three atomic orbitals Cu3d(x2−y2)(σ), O2px(σ), and O2py(σ), these three local orbitals spanning the Zhang–Rice band (ZRB), the lower Hubbard bands (LHB) and the upper Hubbard bands (UHB), respectively. Here we demonstrate by means of supercell Density Functional Theory (DFT) (a) how oxygen intercalation affects the structures of the buffer layers, and (b) how the attenuated crystal field pulls two additional oxygen bands in the CuO2 plane to the Fermi level. The self-consistent changes in electronic structure reflected in the corresponding changes in external potential comprise formal properties of the Hohenberg–Kohn theorems. Validation of present days’ approximate exchange-correlation potentials to capture these qualitative effects by means of supercell DFT is made by comparing computed doping dependent structural shifts to corresponding experimentally observed correlations. The simplest generalization of Bardeen–Cooper–Schrieffer (BCS) theory is offered to articulate high-critical temperature superconductivity (HTS) from a normal state where crystal field causes states related to two non-hybridizing bands to coalesce at EF.
Entropy2015, 17(10), 6753-6764; doi:10.3390/e17106753 - published 5 October 2015 Show/Hide Abstract
Abstract: In this article, the local fractional Homotopy perturbation method is utilized to solve the non-homogeneous heat conduction equations. The operator is considered in the sense of the local fractional differential operator. Comparative results between non-homogeneous and homogeneous heat conduction equations are presented. The obtained result shows the non-differentiable behavior of heat conduction of the fractal temperature field in homogeneous media.
Entropy2015, 17(10), 6743-6752; doi:10.3390/e17106743 - published 30 September 2015 Show/Hide Abstract
Abstract: A novel quantum secure direct communication protocol based on four-particle genuine entangled state and quantum dense coding is proposed. In this protocol, the four-particle genuine entangled state is used to detect eavesdroppers, and quantum dense coding is used to encode the message. Finally, the security of the proposed protocol is discussed. During the security analysis, the method of entropy theory is introduced, and two detection strategies are compared quantitatively by comparing the relationship between the maximal information that the eavesdroppers (Eve) can obtain, and the probability of being detected. Through the analysis we can state that our scheme is feasible and secure.
Entropy2015, 17(10), 6712-6742; doi:10.3390/e17106712 - published 29 September 2015 Show/Hide Abstract
Abstract: Closed, steady or cyclic thermodynamic systems, which have temperature variations over their boundaries, can represent an extremely large range of plants, devices or natural objects, such as combined heating, cooling and power plants, computers and data centres, and planets. Energy transfer rates can occur across the boundary, which are characterized as heat or work. We focus on the finite time thermodynamics aspects, on energy-based performance parameters, on rational efficiency and on the environmental reference temperature. To do this, we examine the net work rate of a closed, steady or cyclic system bounded by thermal resistances linked to isothermal reservoirs in terms of the first and second laws of thermodynamics. Citing relevant references from the literature, we propose a methodology that can improve the thermodynamic analysis of an energy-transforming or an exergy-destroying plant. Through the reflections and analysis presented, we have found an explanation of the second law that clarifies the link between the Clausius integral of heat over temperature and the reference temperature of the Gouy–Stodola theorem. With this insight and approach, the specification of the environmental reference temperature in exergy analysis becomes more solid. We have explained the relationship between the Curzon Ahlborn heat engine and an irreversible Carnot heat engine. We have outlined the nature of subsystem rational efficiencies and have found Rant’s anergy to play an important role. We postulate that heat transfer through thermal resistance is the sole basis of irreversibility.
Entropy2015, 17(10), 6698-6711; doi:10.3390/e17106698 - published 29 September 2015 Show/Hide Abstract
Abstract: We perform a computer simulation of the reaction-diffusion and convection that takes place in Rayleigh–Bénard and Bénard–Poiseuille regimes. The lattice Boltzmann equation (LBE) is used along with the Boussinesq approximation to solve the non-linear coupled differential equations that govern the systems’ thermo-hydrodynamics. Another LBE, is introduced to calculate the evolution concentration of the chemical species involved in the chemical reactions. The simulations are conducted at low Reynolds numbers and in terms of steady state between the first and second thermo-hydrodynamics instability. The results presented here (with no chemical reactions) are in good agreement with those reported in the scientific literature which gives us high expectations about the reliability of the chemical kinetics simulation. Some examples are provided.