The impact of tensorial temperature on equilibrium thermodynamics

Literature Information

Publication Date 2018-06-04
DOI 10.1039/C8CP02046A
Impact Factor 3.676
Authors

Marcello Sega, Pál Jedlovszky


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Abstract

Thermodynamic temperature is a scalar. However, the connection with the kinetic energy tensor in statistical mechanics leaves open the possibility to define a tensorial temperature. This concept has sometimes been used to simulate isothermal conditions in out-of-equilibrium systems. Here, we show, by studying a sessile water droplet, that a tensorial temperature leads to the wrong thermodynamics, or, in other words, the equilibrium isothermal ensemble generated using a tensorial temperature is not the canonical one, with interfacial free energies that can differ up to 40% from the correct ones.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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