Experimental and kinetic modeling study of the pyrolysis and oxidation of diethylamine

Abstract

Highlights • First detailed experimental datasets for diethylamine pyrolysis and oxidation. • Ab initio derived thermochemistry and kinetics for nitrogen species and reactions. • Accurate kinetic model with only elementary steps. • Identification of dominant pathways for the formation of hydrogen cyanide and NOx.

A quantum chemical and kinetics study on the unimolecular reactions of fuel radicals formed during the oxidation of n‐propylamine

“…Therefore, it is suggested that the β‐scission reactions, in which the CC and CN bonds around α ‐position carbon break, is more likely to occur than the β‐scission reaction of alkanes, and the β‐scission of the CC and CN bonds is more pronounced than that of alkanes. The observations are consistent with the conclusions disclosed by Li et al and others, that the CC bond around the α‐position carbon, weakened by the substituent effect of the amino group, preferentially contributed to the reaction 10–16, 20, 25 …”

“…On the other hand, studies on amines containing two or more carbons in the carbon chain are still lacking a sufficient theoretical understanding of the reaction mechanism. Table S1 (in the supporting information) summarizes the studies to date on the combustion of amine species containing two or more carbons in the carbon chain 12–20 …”

Challenges and Opportunities in Electrocatalytic CO2Reduction to Chemicals and Fuels

“…ECO 2 R‐to‐chemicals/fuels can overcome the expensive carbon tax (for detailed cost accounting, we recommend the following review papers Refs. [ 5 , 17 , 223 ]). Furthermore, to reduce CO 2 emissions, vast amounts of CO 2 are buried deep underground.…”

Inverse and distorted Co2SnO4 cubic spinel thin films for dimethylamine detection at room temperature

“…49 In our selectivity study, the bond strengths (kJ mol À1 ) of the tested molecules (mentioned in Table 2) are Ethanol (462), Acetone (748.2), Xylene (325), Benzene (518), Ammonia (453), Triethylamine (381), n-butylamine (381), Diethyl amine (388), and Dimethylamine (307). 32,[50][51][52] Since DMA has a very low and unstable bond strength compared to the other interfering vapors, it thus easily reacts with the high catalytic divalent Co 2+ cation positioned at the octahedral site in the spinel structure. 26,49 In addition, the dipole moment of DMA is also very low compared to those of other vapours.…”