Related papers: Thermodynamic validity criterion for the irreversi…
It is a common view in philosophy of physics that thermodynamics is a non-fundamental theory. This is motivated in particular by the fact that thermodynamics is considered to be a paradigmatic example for a theory that can be reduced to…
From a mathematical model that describes a complex chemical kinetic system of $N$ species and $M$ elementrary reactions in a rapidly stirred vessel of size $V$ as a Markov process, we show that a macroscopic chemical thermodynamics emerges…
In the first part of this paper we give a short review of the hierarchy of stochastic models, related to physical chemistry. In the basement of this hierarchy there are two models --- stochastic chemical kinetics and the Kac model for…
The impossibility of attaining equilibrium for cyclic chemical reaction networks with irreversible steps is apparently due to a divergent entropy production rate. A deeper reason seems to be the violation of the detailed balance condition.…
Quantum thermodynamic uncertainty relations establish fundamental trade-offs between the precision achievable in quantum systems and associated thermodynamic quantities such as entropy production or dynamical activity. While foundational,…
Time-translation symmetry breaking is a mechanism for the emergence of non-stationary many-body phases, so-called time-crystals, in Markovian open quantum systems. Dynamical aspects of time-crystals have been extensively explored over the…
Extended Thermodynamics is a very important theory: for example, it predicts hyperbolicity, finite speeds of propagation waves as well as continuous dependence on initial data. Therefore, it constitutes a significative improvement of…
Dynamic cooperativity in monomeric enzymes is characterized in terms of a non-Michaelis-Menten kinetic behaviour. The latter is believed to be associated with mechanisms that include multiple reaction pathways due to enzymatic…
Irreversibility, despite being a necessary condition for thermalization, still lacks a sound understanding in the context of isolated quantum many-body systems. In this work we approach this question by studying the behavior of generic…
Quantum thermodynamics with open systems is often based on the quantum optical weak-coupling master equation or on operational repeated interaction models, whereas early works on thermalisation and on decoherence theory were mostly…
The promise of chemical computation lies in controlling systems incompatible with traditional electronic micro-controllers, with applications in synthetic biology and nano-scale manufacturing. Computation is typically embedded in…
We demonstrate that the Michaelis-Menten reaction mechanism can be accurately approximated by a linear system when the initial substrate concentration is low. This leads to pseudo-first-order kinetics, simplifying mathematical calculations…
At the present paper we have computed non-ergodicity paramater from Molecular Dynamics (MD) Simulation data after the mode-coupling theory (MCT) for a glass transition. MCT of dense liquids marks the dynamic glass-transition through a…
Epithelial-Mesenchymal Transition (EMT), and the corresponding reverse process, Mesenchymal-Epithelial Transition (MET), are dynamic and reversible cellular programs orchestrated by many changes at biochemical and morphological levels. A…
We analyze underdamped Brownian motion in non-isothermal media with quadratic, linear, and piecewise-constant temperature profiles. Exact identities for entropy production and entropy extraction are derived, addressing whether a vanishing…
We study thermal diffusion in binary mixtures in the framework of non-equilibrium thermodynamics. Our formal result displays the role of partial enthalpies and Onsager's generalized mobilities. The mobility ratio provides a measure for the…
The complex Langevin method (CLM) is a promising tool to address the sign problem in quantum field theories with complex actions. However, it can converge to incorrect results even when simulations appear stable, highlighting the need for…
Thermodynamics constrains the flow of matter in a reaction network to occur through routes along which the Gibbs energy decreases, implying that viable steady-state flux patterns should be void of closed reaction cycles. Identifying and…
According to the Nernst theorem or, equivalently, the third law of thermodynamics, the absolute zero temperature is not attainable. Starting with an initial positive temperature, we show that there exist solutions to a Kelvin-Voigt model…
This is the first report, to our knowledge, on a systematic method for constructing a large scale kinetic metabolic model with incomplete information on kinetic parametersr, and its initial application to the modeling of central metabolism…