Inorganic Chemical Kinetics and Reactions

The Kinetics of Chemical Reactions: Single-molecule versus “bulk” View

Chemistry is a discipline that studies how molecules convert into one another. A chemical reaction can involve several different molecules. For example, a molecule of sodium chloride can fall apart (i.e., dissociate) into the sodium and chlorine atoms. The simplest possible chemical reaction involves conversion of some molecule A into a different form B. To describe this reaction, we write the ...

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...

Ab initio chemical kinetics for the reactions of HNCN with O(3P) and O2

The kinetics and mechanisms of the reactions of cyanomidyl radical (HNCN) with oxygen atoms and molecules have been investigated by ab initio calculations with rate constant prediction. The doublet and quartet state potential energy surfaces (PESs) of the two reactions have been calculated by single-point calculations at the CCSD(T)/6-311+G(3df, 2p) level based on geometries optimized at the CC...

Reactions at Polymer Interfaces: Transitions from Chemical to Diffusion-Control and Mixed Order Kinetics

We study reactions between end-functionalized chains at a polymer-polymer interface. For small chemical reactivities (the typical case) the number of diblocks formed, Rt, obeys 2nd order chemically controlled kinetics, Rt ∼ t, until interfacial saturation. For high reactivities (e.g. radicals) a transition occurs at short times to 2nd order diffusion-controlled kinetics, with Rt ∼ t/ ln t for u...