Zobrazeno 1 - 10
of 121
pro vyhledávání: '"Carl F. Melius"'
Publikováno v:
International Journal of Chemical Kinetics. 39:580-590
The kinetics and mechanism for the thermal decomposition of diketene have been studied in the temperature range 510-603 K using highly diluted mixtures with Ar as a diluent. The concentrations of diketene, ketene, and CO2 were measured by FTIR spectr
Publikováno v:
The Journal of Physical Chemistry A. 110:5919-5928
Calibrated by both experimental data and high-level coupled-cluster calculations, the BAC-MP4 methodology was applied to 51 SbL(n) (L = H, CH(3), C(2)H(5), Cl, and OH, n = 1-5) molecules, providing calculated heats of formation and associated thermod
Publikováno v:
The Journal of Physical Chemistry A. 110:281-290
The BAC-MP4 methodology has been used to calculate the heats of formation and associated thermodynamic parameters for a family of 51 different one-, two-, and three-coordinate indium compounds. The ligands explored were H, CH3, C2H5, OH, OCH3, and Cl
Autor:
Mark D. Allendorf, Carl F. Melius
Publikováno v:
The Journal of Physical Chemistry A. 109:4939-4949
Autor:
Andrey G. Shmakov, I.V. Rybitskaya, William J. Pitz, Henry J. Curran, Oleg P. Korobeinichev, T.M. Jayaweera, Carl F. Melius, Vladimir M. Shvartsberg, Charles K. Westbrook
Publikováno v:
Combustion and Flame. 140:103-115
There is much interest in the combustion mechanism of organophosphorus compounds (OPCs) due to their role as potential halon replacements in fire suppression. A continuing investigation of the inhibition activity of organophosphorus compounds under a
Autor:
Charles K. Westbrook, Andrey G. Shmakov, Vladimir M. Shvartsberg, Tatyana A. Bolshova, Carl F. Melius, Henry J. Curran, T.M. Jayaweera, Oleg P. Korobeinichev, William J. Pitz
Publikováno v:
Proceedings of the Combustion Institute. 30:2353-2360
Chemical inhibition of laminar propane flames by organophosphorus compounds has been studied experimentally and computationally using a detailed chemical kinetic reaction mechanism. Both fuel-lean and fuel-rich propane flames were studied to examine
Publikováno v:
The Journal of Physical Chemistry A. 106:9024-9029
We present the results of a quantum molecular dynamics simulation of the chemistry of HMX, a high performance explosive, at a density of 1.9 g/cm3 and temperature of 3500 K, conditions roughly similar to the Chapman−Jouget detonation state. The mol
Autor:
Mark D. Allendorf, Carl F. Melius
Publikováno v:
The Journal of Physical Chemistry A. 106:6370-6380
Publikováno v:
Proceedings of the Combustion Institute. 29:2469-2476
A detailed chemical kinetic reaction mechanism is developed to describe incineration of the chemical warfare nerve agent sarin (GB), based on commonly used principles of bond additivity and hierarchical reaction mechanisms. The mechanism is based on
Autor:
M.C. Piqueras, Carl F. Melius
Publikováno v:
Proceedings of the Combustion Institute. 29:2863-2871
Understanding the reaction mechanisms for the decomposition of NO2-containing energetic materialsin the condensed phase is critical to our development of detailed kinetic models of these energetic materials in propellant combustion. To date, the reac