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Journal of Energy Resources Technology

Quantum-theoretic Shapes of Constituents of Systems in Various States

Elias P. Gyftopoulos, Michael R. von Spakovsky

Published Mar 1, 2003• 8 citations
Publisher

Abstract

In previous publications, it has been shown that entropy is a measure of the quantum-theoretic shape of the constituents of a system. In this paper, we present examples of quantum-theoretic shapes of some systems each consisting of one unit of a single constituent, in either a stable (thermodynamic) equilibrium state or in states that are not stable equilibrium. The systems that we consider are a structureless particle confined in either a linear box or a square box, and a harmonic oscillator. In general, we find that the shape of each constituent is “smooth”—without ripples—for each thermodynamic equilibrium state, and oscillatory or rippled for states that are either nonequilibrium or unstable equilibrium.

DOI
10.1115/1.1525245

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In previous publications, it has been shown that entropy is a measure of the quantum-theoretic shape of the constituents of a system. In this paper, we present examples of quantum-theoretic shapes of some systems each consisting of one unit of a single constituent, in either a stable (thermodynamic) equilibrium state or in states that are not stable equilibrium. The systems that we consider are a structureless particle confined in either a linear box or a square box, and a harmonic oscillator. In general, we find that the shape of each constituent is “smooth”—without ripples—for each thermodynamic equilibrium state, and oscillatory or rippled for states that are either nonequilibrium or unstable equilibrium.
Abstract Part II of this two-part paper refutes the beliefs about the statistical interpretation of thermodynamics, and the association of entropy with disorder that are summarized in Part I. The refutation of the statistical approach is based on either a nonstatistical unified quantum theory of mechanics and thermodynamics, or an almost equivalent, novel, nonquantal exposition of thermodynamics. Entropy is shown to be: (i) valid for any system (both macroscopic and microscopic, including one-particle systems), and any state (both thermodynamic or stable equilibrium, and not stable equilibrium); (ii) a measure of the quantum-theoretic pliable shape of the molecules of a system; and (iii) a monotonic indicator of order. In contrast to statistics which associates a thermodynamic equilibrium macrostate with the largest number of compatible microstates, the second law avers that, for each set of values of energy, volume, and amounts of constituents of either a macroscopic or a microscopic system, there exists one and only one thermodynamic or stable equilibrium state. So, even if Boltzmann’s definition were used, a thermodynamic equilibrium state is one of perfect order.
The prevailing beliefs in the scientific and engineering literature are that: (i) thermodynamics is explained and justified by statistical mechanics; (ii) entropy is a statistical measure of disorder; and (iii) for given values of energy, volume, and amounts of constituents, the largest value of entropy corresponds to both a thermodynamic equilibrium state and the ultimate disorder. In this paper, we provide: (i) a summary of the beliefs as stated by some eminent scientists; (ii) experimental evidence that casts serious doubt about the validity of the beliefs; (iii) an outline of a nonstatistical unified quantum theory of mechanics and thermodynamics; (iv) an outline of a nonquantal, nonstatistical exposition of thermodynamics, valid for all systems (both macroscopic and microscopic), and for all states (both thermodynamic equilibrium and not thermodynamic equilibrium); (v) the definition and analytical expression of the entropy of thermodynamics; (vi) the interpretation of entropy as both a measure of the quantum-theoretic spatial shape of a molecule, and an indicator of order; and (vii) nonstatistical answers to the questions that motivated the introduction of statistical mechanics.
This chapter builds upon the previous chapters, applying the method of combining probability theory with Hamiltonian mechanics. To do so, one needs to build a meaningful sample space over states, in this case, quantum states. A substantial part of the chapter discusses how to construct these quantum states out of which one can build a sample space on which to apply a probability measure. Vector states and density operators are introduced and various worked examples are proposed. Once the quantum sample space is identified, the equilibrium quantum statistical mechanics is formulated. The ‘particle in a box’ problem turns out to be analytically intractable, unless we take a certain limit called the semi-classical limit. Heuristics as to what this limit means are proposed. Finally, the von Neumann (quantum) entropy is introduced and analogies with thermodynamics are made. An application to the heat capacity of solids is presented. As complement, the chapter also introduces a classical ‘ring-polymer’ analog of quantum statistical mechanics stating the formal equivalence between a one-particle quantum canonical system and an N-particle classical canonical system.
As known all physical properties of solids are described well by the system of quantum linear harmonic oscillators. It is shown in the present paper that the system consisting of classical linear harmonic oscillators having temperature dependent masses or (and) frequencies has the same partition function as the system consisting of quantum linear harmonic oscillators having temperature independent masses and frequencies while the means of the square displacements of the positions of the oscillators from their mean positions for the system consisting of classical linear harmonic oscillators having: the temperature dependent masses; temperature dependent frequencies; and temperature dependent masses and frequencies differ from each other and from that of the system consisting of quantum linear harmonic oscillators, and hence, the system consisting of classical linear harmonic oscillators describes well the thermodynamic properties of the system consisting of quantum linear harmonic oscillators and solids.