Phase separation is the thermodynamic process that explains how droplets form in multicomponent fluids. These can provide controlled compartments to localize chemical reactions, and reactions also affect droplets' dynamics. This review focuses on tight interplay between phase which originates from constraints. In particular, simple mass action kinetics cannot describe since requires non-ideal I...

Presented here is the two-phase thermodynamic (2PT) model for the calculation of energy and entropy of molecular fluids from the trajectory of molecular dynamics (MD) simulations. In this method, the density of state (DoS) functions (including the normal modes of translation, rotation, and intramolecular vibration motions) are determined from the Fourier transform of the corresponding velocity ...

As the chief energy source of eukaryotic cells, it is important to determine the thermodynamic efficiency of ATP synthesis in oxidative phosphorylation (OX PHOS). Previous estimates of the thermodynamic efficiency of this vital process have ranged from Lehninger's original back-of-the-envelope calculation of 38% to the often quoted value of 55-60% in current textbooks of biochemistry, to high v...

Spontaneous explosive is an abrupt transition to collective behavior taking place in heterogeneous networks when the frequencies of the nodes are positively correlated with the node degree. This explosive transition was conjectured to be discontinuous. Indeed, numerical investigations reveal a hysteresis behavior associated with the transition. Here, we analyze explosive synchronization in star...

Thermodynamic length is a metric distance between equilibrium thermodynamic states that asymptotically bounds the dissipation induced by finite time transformation of system. By means length, we first evaluate departures from ideal to real gases in geometric thermodynamics with and without Legendre invariance. In particular, investigate Ruppeiner geometrothermodynamic formalisms. Afterwards, fo...

We propose that the ideal fracture energy of a material with mobile bulk impurities can be obtained within the framework of a Born-Haber thermodynamic cycle. We show that such a definition has the advantage of initial and final states at equilibrium, connected by well-defined and measurable energetic quantities, which can also be calculated from first principles. Using this approach, we calcula...

We generalize the standard quantum model (Caves 1982 Phys. Rev. D 26 1817) of the noise properties of ideal linear amplifiers to include the possibility of non-ideal behavior. We find that under many conditions the non-ideal behavior can be described simply by assuming that the internal noise source that describes the quantum noise of the amplifier is not in its ground state. We validate this m...

Consider an organization composed by a Leader and by a finite group of agents (or followers). The Leader has some ideal organization composition or vector of preferred actions one for each agent and can invest in costly socialization trying to instill this “corporate culture” in all the agents of the organization. Each agent has as well her ideal action. When an agent makes a decision each peri...

Evaluation of thermal stability and runaway behavior of any exothermic chemical system is of great importance for the design and operation of a chemical process. The evaluation process should be based on a thorough investigation of the reaction chemistry including reaction pathways, thermodynamic, and kinetic parameters. When addressing the reactivity hazards of any reacting system, the dominan...

Abstract: We elaborate on existing notions of contact geometry and Poisson geometry as applied to the classical ideal gas. Specifically, we observe that it is possible to describe its dynamics using a 3-dimensional contact submanifold of the standard 5-dimensional contact manifold used in the literature. This reflects the fact that the internal energy of the ideal gas depends exclusively on its...