Thermodynamics And Statistical Mechanics Of Macromolecular Systems

Reviewing statistical mechanics concepts for analysis of macromolecular structure formation processes, for graduate students and researchers in physics and biology.

After a brief introduction into the probability theory, the main principles of Statistical Mechanics are systematically developed from the first principles for the equilibrium theory. The course proceeds from a mechanistic description of molecular and atomic motion and the concepts of thermodynamical ensembles. For an isolated system the laws of Thermodynamics are derived in the thermodynamic limit. For systems in a heat bath we obtain the Gibbs canonical distribution and explain the concepts of the partition function and the free energy. The ideal gas law is then obtained, and extended to the van der Waals equation of state. The vibrational, rotational and electronic partition functions are obtained for molecular systems. For open thermodynamic systems under a fixed pressure the grand-canonical Gibbs ensemble is introduced with the concepts of the chemical potential and the enthalpy. Finally, the quantum systems with the Bose-Einstein and Fermi statistics are reviewed.

This book is a printed edition of the Special Issue "Thermodynamics and Statistical Mechanics of Small Systems" that was published in Entropy

Four-part treatment covers principles of quantum statistical mechanics, systems composed of independent molecules or other independent subsystems, and systems of interacting molecules, concluding with a consideration of quantum statistics.

Both a comprehensive overview and a treatment at the appropriate level of detail, this textbook explains thermodynamics and generalizes the subject so it can be applied to small nano- or biosystems, arbitrarily far from or close to equilibrium. In addition, nonequilibrium free energy theorems are covered with a rigorous exposition of each one. Throughout, the authors stress the physical concepts along with the mathematical derivations. For researchers and students in physics, chemistry, materials science and molecular biology, this is a useful text for postgraduate courses in statistical mechanics, thermodynamics and molecular simulations, while equally serving as a reference for university teachers and researchers in these fields.

Thermodynamics is not the oldest of sciences. Mechanics can make that claim. Thermodynamicsisaproductofsomeofthegreatestscienti?cmindsofthe19thand 20th centuries. But it is suf?ciently established that most authors of new textbooks in thermodynamics ?nd it necessary to justify their writing of yet another textbook. I ?nd this an unnecessary exercise because of the centrality of thermodynamics as a science in physics, chemistry, biology, and medicine. I do acknowledge, however, that instruction in thermodynamics often leaves the student in a confused state. My attempt in this book is to present thermodynamics in as simple and as uni?ed a form as possible. As teachers we identify the failures of our own teachers and attempt to correct them. Although I personally acknowledge with a deep gratitude the appreciation for thermodynamics that I found as an undergraduate, I also realize that my teachers did not convey to me the sweeping grandeur of thermodynamics. Speci?cally the s- plicity and the power that James Clerk Maxwell found in the methods of Gibbs were not part of my undergraduate experience. Unfortunately some modern authors also seem to miss this central theme, choosing instead to introduce the thermodynamic potentials as only useful functions at various points in the development.

This book provides a comprehensive exposition of the theory of equilibrium thermodynamics and statistical mechanics at a level suitable for well-prepared undergraduate students. The fundamental message of the book is that all results in equilibrium thermodynamics and statistical mechanics follow from a single unprovable axiom — namely, the principle of equal a priori probabilities — combined with elementary probability theory, elementary classical mechanics, and elementary quantum mechanics.

Statistical thermodynamics and the related domains of statistical physics and quantum mechanics are very important in many fields of research, including plasmas, rarefied gas dynamics, nuclear systems, lasers, semiconductors, superconductivity, ortho- and para-hydrogen, liquid helium, and so on. Statistical Thermodynamics: Understanding the Properties of Macroscopic Systems provides a detailed overview of how to apply statistical principles to obtain the physical and thermodynamic properties of macroscopic systems. Intended for physics, chemistry, and other science students at the graduate level, the book starts with fundamental principles of statistical physics, before diving into thermodynamics. Going further than many advanced textbooks, it includes Bose-Einstein, Fermi-Dirac statistics, and Lattice dynamics as well as applications in polaron theory, electronic gas in a magnetic field, thermodynamics of dielectrics, and magnetic materials in a magnetic field. The book concludes with an examination of statistical thermodynamics using functional integration and Feynman path integrals, and includes a wide range of problems with solutions that explain the theory.