Kinetics of the reaction of OH with HI between 246 and 353 K
Article Abstract:
The kinetics of the reaction of OH with HI at temperatures between 246 and 353 K and at a total pressure of 75 + 1 Torr Ar was investigated using the laser-flash photolysis technique combined with resonance fluorescence detection of OH. The rate coefficient showed a negative temperature dependence which is described by k4(246-353K) = 7.0 (super +1.9)(sub -0.4)/ 10 (to the 11th power)(T/298)(super -1.5 + 0.5). cm3 s-1 under these conditions. Both the large rate coefficient and trends in the reactivity of OH with HCl, HBr and HI were suggestive of a mechanism without an activation barrier.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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Defect chemistry of La2Ni1-(sub x)M(sub x)O(sub 4)(M = Mn, Fe, Co, Cu): relevance to catalytic behavior
Article Abstract:
The defect properties of the layered perovskite were examined using atomistic computer simulation methods. To ensure accurate defect modeling, theoretical techniques based upon efficient energy minimization procedures and Mott-Littleton methodology were employed. A tetragonal crystal structure was reproduced correctly when effective ionic pairwise interatomic potentials were used during simulations. Results showed that the formation energy of intrinsic atomic defects of the Schottky and Frenkel type were not particularly favorable.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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