The steepest entropy ascent (SEA) dynamical principle provides a general framework for modeling the dynamics of nonequilibrium (NE) phenomena at any level of description, including the atomistic one. It has recently been shown to provide a precise implementation and meaning to the maximum entropy production principle and to encompass many well-established theories of nonequilibrium thermodynamics into a single unifying geometrical framework. Its original formulation in the framework of quantum thermodynamics (QT) assumes the simplest and most natural Fisher-Rao metric to geometrize from a dynamical standpoint the manifold of density operators, which represent the thermodynamic NE states of the system. This simplest SEAQT formulation is used here to develop a general mathematical framework for modeling the NE time evolution of the quantum state of a chemically reactive mixture at an atomistic level. The method is illustrated for a simple two-reaction kinetic scheme of the overall reaction F+H_{2}⇔HF+F in an isolated tank of fixed volume. However, the general formalism is developed for a reactive system subject to multiple reaction mechanisms. To explicitly implement the SEAQT nonlinear law of evolution for the density operator, both the energy and the particle number eigenvalue problems are set up and solved analytically under the dilute gas approximation. The system-level energy and particle number eigenvalues and eigenstates are used in the SEAQT equation of motion to determine the time evolution of the density operator, thus effectively describing the overall kinetics of the reacting system as it relaxes toward stable chemical equilibrium. The predicted time evolution in the near-equilibrium limit is compared to the reaction rates given by a standard detailed kinetic model so as to extract the single time constant needed by the present SEA model.
Entropy generation for the natural convection phenomena is studied for different geometrical cavities that have identical boundary conditions and unit area. The key characteristic parameter in this study was the Grashof number. The effect of Grashof number on Nusselt number and entropy generation has been studied using finite element method. The developed models in this study were validated against published work in the literature and results were found to be in close agreement. Entropy generation was found to increase with an increase in the Grashof number and the heat transfer was the dominant factor in increasing the entropy generation. A lower entropy generation is generally expected with an increase in the distance between the hot and cold boundaries. It is also noted that the rate of entropy generation decreases slowly when the flow domain is only slightly distorted, while the rate of entropy generation increases sharply when the flow domain changes significantly.
The present study deals with the thermodynamically modelled two-shaft gas turbine system consisting of a cooling unit at the compressor inlet. The system is used to investigate the generated power, thermal efficiency and second law efficiency. The parametric study using this model shows effect of ambient conditions, compressor inlet temperature, and pressure ratios on power output, thermal efficiency and second law efficiency. Theoretical results using the proposed model show that when the compressor inlet temperature is decreased by some kind of cooling systems, the net power output and thermal efficiency increases up to 30% and 23%, respectively. Also, the second law efficiency of the proposed system increases in compression to the specified reference state. It shows that the proposed model is thermodynamically viable. A comparison of the performance test results of the model and the experimental results are in good agreement. The results provide valuable information regarding the gas turbine system and will be useful for designers.
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