Related papers: Discrete Thermodynamics of Chemical Equilibria
Recent experiments indicate that electromagnetic hysteresis behavior can be exhibited at the molecular level.A MD simulation using 2-body potentials and switches to form and break bonds is implemented to determine whether chemical reaction…
Causal Dynamical Triangulations (CDT) is a methodology to define and compute the gravitational path integral, whose aim is a fully fledged nonperturbative quantum field theory of gravity and spacetime. Analogous to lattice formulations of…
Linear dielectric thermodynamics are formally developed to explore the isothermal and adiabatic temperature - pressure dependence of dielectric constants. The refractive index of optical materials is widely measured in the literature: it is…
Multicomponent phase separation is a routine occurrence in both living and synthetic systems. Thermodynamics provides a straightforward path to determine the phase boundaries that characterize these transitions for systems at equilibrium.…
Stochastic Thermodynamics (ST) extends the notions of classical thermodynamics to trajectories taken from a nonequilibrium ensemble. This extension yields a simple approach to fluctuation relations in small systems. Multiple time- and…
The interplay of quantum statistics, interactions and temperature is studied within the framework of the bosonic two-component theory with repulsive delta-function interaction in one dimension. We numerically solve the thermodynamic Bethe…
In this paper, we investigate the Kirkwood-Dirac nonclassicality and uncertainty diagram based on discrete Fourier transform (DFT) in a $d$ dimensional system. The uncertainty diagram of complete incompatibility bases $\mathcal {A},\mathcal…
The population dynamics and stability of ecosystems of interacting species is studied from the perspective of non-equilibrium thermodynamics by assuming that species, through their biotic and abiotic interactions, are units of entropy…
Stochastic thermodynamics provides a framework for describing small systems like colloids or biomolecules driven out of equilibrium but still in contact with a heat bath. Both, a first-law like energy balance involving exchanged heat and…
In the previous papers of the author it has been shown that the 1st law of thermodynamics in chemical reactions is the following one: dU=dQ+PdV+SUM In the present paper this theory was developed and it has been shown that the 1st law of…
The problem of the calculation of equilibrium thermodynamic properties and the establishment of statistical-thermodynamically-consistent finite bound-state partition functions in nonideal multi-component plasma systems is revised within the…
Time-dependent density-functional theory (TDDFT) is a central tool for studying the dynamical electronic structure of molecules and solids, yet aspects of its mathematical foundations remain insufficiently understood. In this work, we…
Within the theoretical framework of divergence-type theories (DTTs), we set up a consistent nonlinear hydrodynamical description of a conformal fluid in flat space-time. DTTs go beyond second-order (in velocity gradients) theories, and are…
We propose a housekeeping/excess decomposition of entropy production for general nonlinear dynamics in a discrete space, including chemical reaction networks and discrete stochastic systems. We exploit the geometric structure of…
In this paper, we offer to the reader an essential review of the theory of Fluctuation-Dissipation Relations (FDR), from the first formulations due to Einstein and Onsager, to the recent developments in the framework of stochastic…
We present a general and systematic theory of non-equilibrium dynamics of multi-component fluid membranes, in general, and membranes containing transmembrane proteins, in particular. Developed based on a minimal number of principles of…
In a relativistic context, the main purpose of Extended Irreversible Thermodynamics (EIT) is to generalize the principles of non-equilibrium thermodynamics to the domain of fluid dynamics. In particular, the theory aims at modelling any…
In chemical or physical reaction dynamics, it is essential to distinguish precisely between reactants and products for all time. This task is especially demanding in time-dependent or driven systems because therein the dividing surface (DS)…
In the current research, we investigate the concept of spontaneously nonequilibrium dimension (SND), and show that a SND-based system can break the second law of thermodynamics. The main characteristic of the SND is the inherent…
We discuss the non-equilibrium critical phenomena in liquids, and the models for these phenomena based on local equilibrium and extended scaling assumptions. Special situations are proposed for experimental tests of the theory.…