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Nonequilibrium thermodynamics.

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Nonequilibrium thermodynamics.

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Written by two specialists with over twenty-five years of experience in the field, this valuable text presents a wide range of topics within the growing field of nonequilibrium molecular dynamics (NEMD). It introduces theories which are fundamental to the field - namely, nonequilibrium statistical mechanics and nonequilibrium thermodynamics - and provides state-of-the-art algorithms and advice for designing reliable NEMD code, as well as examining applications for both atomic and molecular fluids. It discusses homogenous and inhomogenous flows and pays considerable attention to highly confined fluids, such as nanofluidics. In addition to statistical mechanics and thermodynamics, the book covers the themes of temperature and thermodynamic fluxes and their computation, the theory and algorithms for homogenous shear and elongational flows, response theory and its applications, heat and mass transport algorithms, applications in molecular rheology, highly confined fluids (nanofluidics), the phenomenon of slip and how to compute it from basic microscopic principles, and generalized hydrodynamics.

Nonequilibrium statistical mechanics. --- Nonequilibrium thermodynamics. --- Molecular dynamics.

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Far-from-equilibrium phenomena, while abundant in nature, are not nearly as well understood as their equilibrium counterparts. On the theoretical side, progress is slowed by the lack of a simple framework, such as the Boltzmann-Gbbs paradigm in the case of equilibrium thermodynamics. On the experimental side, the enormous structural complexity of real systems poses serious obstacles to comprehension.Similar difficulties have been overcome in equilibrium statistical mechanics by focusing on model systems. Even if they seem too simplistic for known physical systems, models give us considerab

Statistical mechanics. --- Nonequilibrium thermodynamics.

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Thermodynamics of non-equilibrium processes is a comparatively new area of thermodynamics. Traditionally this discipline is taught only to chemistry students who have a very strong background in physics. The author of the present book has adapted his course of thermodynamics of non-equilibrium processes so that the subject can be treated in terms understandable to any chemist with a formal physicochemical education in the fields of classical thermodynamics of equilibrium processes and traditional chemical kinetics. The discipline combines thermodynamics and chemical kinetics and is

Nonequilibrium thermodynamics. --- Catalysis.