A numerical study has been performed modeling the gas-phase reactions occurring during the chemical vapor deposition ~CVD! of alumina from AlCl3 /CO2 /H2 mixtures. The purpose is to answer whether and to what extent trends in the decomposition of AlCl3 via gas-phase reactions can explain experimentally observed trends in CVD deposition of aluminum-containing films. The AlCl3 decomposition is pr...

To gain insight into factors that control H(2)O(2) persistence and ·OH yield in H(2)O(2)-based in situ chemical oxidation systems, the decomposition of H(2)O(2) and transformation of phenol were investigated in the presence of iron-containing minerals and aquifer materials. Under conditions expected during remediation of soil and groundwater, the stoichiometric efficiency, defined as the amount...

This work reports a theoretical study of the gas-phase unimolecular decomposition of cyclobutane, cyclopentane and cyclohexane by means of quantum chemical calculations. A biradical mechanism has been envisaged for each cycloalkane, and the main routes for the decomposition of the biradicals formed have been investigated at the CBS-QB3 level of theory. Thermochemical data(DeltaHf(o), S(o), Cp(o...

The characterization of Fe/ZSM5 zeolite materials, the nature of Fe-sites active in N(2)O direct decomposition, as well as the rate limiting step are still a matter of debate. The mechanism of N(2)O decomposition on the binuclear oxo-hydroxo bridged extraframework iron core site [Fe(II)(mu-O)(mu-OH)Fe(II)](+) inside the ZSM-5 zeolite has been studied by combining theoretical and experimental ap...

This is the first comprehensive study on the kinetic modeling of adiabatic decomposition of ditert-butyl peroxide (DTBP) and its solvent mixtures. The adiabatic thermal decomposition of DTBP and its solvent mixtures was examined using an accelerating rate calorimeter under varying thermal inertia. The decomposition products were characterized using gas chromatography-total inorganic carbon anal...

The rate of decomposition of hydrogen peroxide has been measured in aqueous, concentrated (0.1–1M) reagent-grade sodium carbonate liquors and compared with that in sodium hydroxide liquors at the same pH, temperature, and ionic strength. Over the ranges of temperature (303–323 K), pH (10.0–10.6), and ionic strength (1.5–3.0M), and without peroxide-stabilizing additives, hydrogen peroxide decomp...

Decomposition of 2-chloroethylphosphonic acid (Ethephon) was studied in dried films at various water vapor pressures (0.6 to 86.9 millimeters Hg, 3.2 to 93.9% relative humidity) and temperatures (20, 30, 40, and 50 C) at pH 6.3 and 7.0. The rate of decomposition could be determined equally well by [(14)C]Ethephon or ethylene measurements. The rate increases at increasing water vapor pressures a...

The particle size control of drug is one of the most important factors affecting the efficiency of the nano-drug production in confined liquid impinging jets. In the present research, for this investigation the confined liquid impinging jet was used to produce nanoparticles of Carbamazepine. The effects of several parameters such as concentration, solution and anti-solvent flow rate and solvent...