NUMERICAL STUDY OF IGNITION AND COMBUSTION OF DIBORANE JETS IN SUPERSONIC COCURRENT AIRFLOW

A numerical study of ignition and combustion of jets of the simplest boranes - diborane B2H6 - in cocurrent supersonic airflow with the use of the developed detailed kinetic mechanism of diborane-air oxidation is carried out in the flat channel.

Detailed kinetics of hydrogen abstraction from trans-decalin by OH radicals: the role of hindered internal rotation treatment

The detailed kinetic mechanism of the trans-decalin + OH reaction is firstly investigated for a wide range of conditions (T = 200–2000 K & P = 0.76–76000 Torr) using the M06-2X/aug-cc-pVTZ level and stochastic RRKM-based Master equation rate model.

Ab initio dynamics of hydrogen abstraction from N2H4 by OH radicals: an RRKM-based master equation study

The detailed kinetic mechanism of the N2H4 + OH reaction is comprehensively reported for a wide condition range of conditions (i.e., 200–3000 K & 1–7600 Torr) using the CCSD(T)/CBS//M06-2X/6-311++G(3df,2p) level and the RRKM-based master equation rate model.