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 kinetics—the specific time evolution of a chemical system. However, if the desired output is not thermodynamically stable, basic physical chemistry dictates that therm...

Recent studies have developed fundamental limitations on nanoscale thermodynamics, in terms of a set of independent free energy relations. Here we show that free energy relations cannot properly describe quantum coherence in thermodynamic processes. By casting time-asymmetry as a quantifiable, fundamental resource of a quantum state, we arrive at an additional, independent set of thermodynamic ...

With regard to the second law of thermodynamics, as given by equation (6), it should be noted that the sign "is greater than" applies to the case of a system which is approaching the condition of thermodynamic equilibrium and implies a difference between "forward" and "backward" directions for the time-like coordinate x4. The equality sign, on the other hand, may characterize either a system wh...

The existence of a thermodynamic arrow of time in the present universe implies that the initial state of the observable portion of our universe at (or near) the “big bang” must have been very “special”. We argue that it is not plausible that these special initial conditions have a dynamical origin. There is no question that our present universe displays a thermodynamic arrow of time: We all hav...

We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assump...

the thermodynamic properties of fluids can be predicted using the global equations of state. among these thermodynamic properties of fluids, we choose the densities of the liquid and vapor phases. this paper considers the application of the crossover model to the vapor-liquid rectilinear diameter of sulfurhexafluoride. we also present a comparison of the crossover model equation with the experi...

This paper discusses the thermodynamic irreversibility realized in high-dimensional Hamiltonian systems with a time-dependent parameter. A new quantity, the irreversible information loss, is defined from the Lyapunov analysis so as to characterize the thermodynamic irreversibility. It is proved that this new quantity satisfies an inequality associated with the second law of thermodynamics. Base...

adsorption and desorption behavior of gd(iii) ionon macroporous weak acid resin (mwar) had been investigated.the influence of operational conditions such as contact time, initial concentration of gd(iii) ion, initial ph of solution and temperature on the adsorption of gd(iii) ion had been examined. experimental data were exploited for kinetic and thermodynamic evaluations related to the adsorpt...

theoretical study of the electronic structure, and nonlinear optical properties (nlo) analysis of 12-crown-4were done using density functional theory (dft) evaluations at the b3lyp/6-311g (d,p) level of theory. the optimized structure is nonlinear compound as indicated from the dihedral angles were presented. the calculated ehomo and elumo energies of 12-crown-4 (12cn4) can be used to explain t...