Negative differential response in chemical reactions

The frenetic origin of negative differential response

The Green-Kubo formula for linear response coefficients gets modified when dealing with nonequilibrium dynamics. In particular negative differential conductivities are allowed to exist away from equilibrium. We give a unifying framework for such negative differential response in terms of the frenetic contribution in the nonequilibrium formula. It corresponds to a negative dependence of the esca...

Frenetic origin of negative differential response.

The Green-Kubo formula for linear response coefficients is modified when dealing with nonequilibrium dynamics. In particular, negative differential conductivities are allowed to exist away from equilibrium. We give a unifying framework for such a negative differential response in terms of the frenetic contribution in the nonequilibrium formula. It corresponds to a negative dependence of the esc...

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...

numerical solution of stiff systems of differential equations arising from chemical reactions

long time integration of large stiff systems of initial value problems, arising from chemical reactions, demands efficient methods with good accuracy and extensive absolute stability region. in this paper, we apply second derivative general linear methods to solve some stiff chemical problems such as chemical akzo nobel problem, hires problem and orego problem.