Intrinsic Quantum Thermodynamics (IQT) is a theory that combines Thermodynamics and Quantum Mechanics into a single theory and asserts that irreversibility and the increase of entropy has its origin at the fundamental, atomistic level. The merits and details of IQT are discussed and compared with the well-known theory of Quantum Statistical Mechanics (QSM) and the more recent development of Quantum Thermodynamics (QT). IQT is then used to model in 3D the time evolution of the adsorption of hydrogen on a single-walled carbon nanotube. The initial state of the hydrogen molecules is far from stable equilibrium and over time the system relaxes to a state of stable equilibrium with the hydrogen near the walls of the carbon nanotube. The details of the model are presented, which include the construction of the energy eigenlevels for the system, the treatment of the interactions between the hydrogen and the nanotube along with the interactions of the hydrogen molecules with each other, and the solution of the IQT equation of motion as well as approximation methods that are developed to deal with extremely large numbers of energy eigenlevels. In addition, a new extension to the theory of IQT is proposed for modeling systems that undergo heat interactions with a heat reservoir. The formulation of a new heat interaction operator is discussed, implemented, tested, and compared with a previous version extant in the literature. IQT theory is then further extended to encompass simple mass interactions with a mass reservoir. The formulation, implementation, and testing of the mass interaction operator is also discussed in detail. Finally, IQT is used to model the results of two experiments found in the literature. The first experiment deals with the spin relaxation of rubidium atoms and the second tests the relaxation behavior of single trapped ion that is allowed to interact with an external heat reservoir. Good agreement between experiment and the model predictions is found.

Feb 1, 20127 citations

Comparison of the non-equilibrium predictions of Intrinsic Quantum Thermodynamics at the atomistic level with experimental evidence

Charles E Smith, Michael R. von Spakovsky

Theoretical predictions from Intrinsic Quantum Thermodynamics (IQT) are compared to published experimental findings in order to examine whether or not calculations using IQT are consistent with experimental data. IQT makes the assertion that entropy is an intrinsic property of matter in the same way that inertial mass, energy, and momentum are and must, thus, exist even for single particles. Entropy as defined by IQT is a measure of the distribution of a system's internal energy at any given instant of time amongst the available internal degrees of freedom, i.e., the energy eigenlevels of the system. In this paper, it is shown that IQT models the internal relaxation of a 5-level rubidium system in a way that is consistent with the experimental data available in the literature. In addition, other experimental data found in the literature is compared with results obtained from the equation of motion of IQT that allows for heat interactions. It is shown that the decay of so-called "cat states" for single ions that are contained in Paul traps and that interact with a heat reservoir is also consistent with the calculations made using the theory of IQT.

Journal of Physics Conference SeriesAug 24, 201216 citations