Chemical Reactions near Equilibrium

Chemical Reactions Using a Non-Equilibrium Wigner Function Approach

A three-dimensional model of binary chemical reactions is studied. We consider an ab initio quantum two-particle system subjected to an attractive interaction potential and to a heat bath at thermal equilibrium at absolute temperature T > 0. Under the sole action of the attraction potential, the two particles can either be bound or unbound to each other. While at T = 0, there is no transition b...

Chemical reactions.

Chemical salt reactions as algebraic hyperstructures

A salt metathesis reaction is a chemical process involving the exchange of bonds between two reacting chemical species, which results in the creation of products with similar or identical bonding affiliations. Hyperstructure theory is studied from the theoretical point of view and for its applications. In this paper, we provide some examples of hyperstructures associated with salt m...

Equilibrium Chemical Engines

The molecular machine in biological systems works as a chemical energy transducer. For instance, the protein motors such as myosin and kinesins, or flagellar motor produce mechanical energy as they consume the chemical energy provided by hydrolysis of ATP or proton density gradient. Some other proteins, such as enzymes or pump proteins of membrane transportation, can be also thought as chemical...

Non-invasive estimation of dissipation from non-equilibrium fluctuations in chemical reactions.

We show how to extract an estimate of the entropy production from a sufficiently long time series of stationary fluctuations of chemical reactions. This method, which is based on recent work on fluctuation theorems, is direct, non-invasive, does not require any knowledge about the underlying dynamics and is applicable even when only partial information is available. We apply it to simple stocha...