The total entropy production is the sum of two contributions, the so-called adiabatic and nonadiabatic entropy productions, each of which is non-negative. We derive their explicit expressions for continuous Markovian processes, discuss their properties, and illustrate their behavior on two exactly solvable models.

The calculation of the standard enthalpies of vaporization, sublimation and solvation of organic molecules is presented using a common computer algorithm on the basis of a group-additivity method. The same algorithm is also shown to enable the calculation of their entropy of fusion as well as the total phase-change entropy of liquid crystals. The present method is based on the complete breakdow...

The elucidation of entropic contribution to enzyme catalysis has been debated over decades. The recent experimentally measured activation enthalpy and entropy, for chorismate rearrangement reaction in PchB brings up a hotly debated issue whether the chorismate mutase catalyzed reaction is entropy-driven reaction. Extensive configurational sampling combined with quantum mechanics/molecular mecha...

The theory of the a-helix to random coil transition in two-chain, coiled coils is extended to include the effect of loop entropy. To ascertain the conditions under which loop entropy is important, expressions are derived with the neglect of loop entropy for the ratio (R) of the number of residues that are part of randomly coiled runs at the chain ends to the total number of randomly coiled resi...

The present study carefully examined entropy generation during wustite pellet reduction to sponge iron. The finite volume method was used to solve the governing equations. The grain model was used to simulate the reaction rate. The reactant gases including carbon monoxide and hydrogen were converted to water and carbon dioxide after wustite reduction. Entropy is generated by heat transfer, mass...

Dynamics of deterministic systems perturbed by random additive noise is characterized quantitatively. Since for such systems the Kolmogorov-Sinai (KS) entropy diverges if the diameter of the partition tends to zero, we analyze the difference between the total entropy of a noisy system and the entropy of the noise itself. We show that this quantity is finite and non-negative and we call it the d...

We study the entropy of pure shift-invariant states on a quantum spin chain. Unlike the classical case, the local restrictions to intervals of length N are typically mixed and have therefore a non-zero entropy SN which is, moreover, monotonically increasing in N . We are interested in the asymptotics of the total entropy. We investigate in detail a class of states derived from quasi-free states...

We recall here the entropy-like measure {S F } proposed in [1] and we compare it to our network entropy measure S. The results presented in [1] are substantially different from our achievements and the reason lies in the conceptual foundation of the two measures. We clarify their relation thank to a simple toy model. The “entropy of information flux distribution" {S F } is a single-node entropy...