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Revisions of the Phenomenological and Statistical Statements of the Second Law of Thermodynamics.
Entropy (Basel)
December 2024
Istituto Nazionale di Alta Matematica (INdAM), 00185 Rome, Italy.
The status of the Second Law of Thermodynamics, even in the 21st century, is not as certain as when Arthur Eddington wrote about it a hundred years ago. It is not only about the truth of this law, but rather about its strict and exhaustive formulation. In the previous article, it was shown that two of the three most famous thermodynamic formulations of the Second Law of Thermodynamics are non-exhaustive.
View Article and Find Full Text PDFSelf-consistent approach to the dynamics of excitation energy transfer in multichromophoric systems.
J Chem Phys
November 2024
Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16 Prague 2, Czech Republic.
Article Synopsis
- Researchers have developed approximate methods to study exciton transport in molecular aggregates influenced by structured environments, moving beyond basic models that often become complex and hard to manage.
- They introduced a self-consistent Born approximation to better accommodate exciton-environment interactions and improve calculations of energy transfer dynamics in these systems.
- Their findings indicate that this new approach aligns well with more comprehensive models across various conditions, suggesting it effectively describes exciton behavior even in complex scenarios like the Fenna-Matthews-Olson complex.
Fractional differentiation method: Some applications to the theory of subdiffusion-controlled reactions.
Phys Rev E
October 2024
Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, 4 Kosygina St., 119991 Moscow, Russian Federation.
The fractional differentiation method's broad possibilities are demonstrated with rather simple but important examples of the anomalous diffusion trapping problems. In particular we evaluate the reaction rate coefficients for the subdiffusion-controlled reactions and for reactions describing by a diffusion equation with a half-order time derivative as a damping term. The distinctive feature of this aproach is that the reaction rate coefficient may be obtained by means of some factorization procedure immediately, without a preliminary solution to the corresponding initial boundary value diffusion problem.
View Article and Find Full Text PDFQSLE-v1.0: A New Software Package for the Calculation of Coupled Quantum-Classical Dynamics in Condensed Phases Based on a Stochastic Approach.
J Chem Theory Comput
November 2024
Department of Chemical Sciences, University of Padua, via Marzolo 1, Padova I-35131, Italy.
Recently, a stochastic version of the quantum-classical Liouville equation has been proposed [Campeggio, J.; Cortivo, R.; Zerbetto, M.
View Article and Find Full Text PDFDynamics and kinetic theory of hard spheres under strong confinement.
Phys Rev E
September 2024
Física Teórica, Universidad de Sevilla, Apartado de Correos 1065, E-41080 Seville, Spain.
The kinetic theory description of a low-density gas of hard spheres or disks, confined between two parallel plates separated at a distance smaller than twice the diameter of the particles, is addressed starting from the Liouville equation of the system. The associated Bogoliubov, Born, Green, Kirkwood, and Yvon hierarchy of equations for the reduced distribution functions is expanded in powers of a parameter measuring the density of the system in the appropriate dimensionless units. The Boltzmann level of description is obtained by keeping only the two lowest orders in the parameter.
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