Intramolecular Dynamics Diffusion Theory: Nonstatistical Unimolecular Reaction Rates

1997 ◽  
pp. 81-98 ◽  
Author(s):  
Dmitrii V. Shalashilin ◽  
Donald L. Thompson
Keyword(s):  
Diffusion Theory ◽  
Reaction Rates ◽  
Unimolecular Reaction ◽  
Intramolecular Dynamics

Predicting nonstatistical unimolecular reaction rates using Kramers’ theory

1999 ◽  
Vol 110 (12) ◽  
pp. 5514-5520 ◽  
Author(s):  
Yin Guo ◽  
Dmitrii V. Shalashilin ◽  
Justin A. Krouse ◽  
Donald L. Thompson
Keyword(s):  
Reaction Rates ◽  
Unimolecular Reaction

Improved formulae for thermal unimolecular reaction rates with randomisation failure

1984 ◽  
Vol 62 (12) ◽  
pp. 2879-2880
Author(s):  
S. R. Vatsya ◽  
H. O. Pritchard
Keyword(s):  
Reaction Rates ◽  
Unimolecular Reaction

On the relation between unimolecular reaction rates and overlapping resonances

1994 ◽  
Vol 101 (11) ◽  
pp. 9672-9680 ◽  
Author(s):  
Uri Peskin ◽  
Hanna Reisler ◽  
William H. Miller
Keyword(s):  
Reaction Rates ◽  
Unimolecular Reaction

scholarly journals The structure of the reaction zone in a flame

1949 ◽  
Vol 197 (1048) ◽  
pp. 90-106 ◽  
Keyword(s):  
Heat Conductivity ◽  
Mathematical Problem ◽  
Reaction Rates ◽  
Successive Approximations ◽  
Method Of Successive Approximations ◽  
Unimolecular Reaction ◽  
Homogeneous Reaction ◽  
One Dimensional ◽  
Mathematical Approximation ◽  
Low Pressures

The structure of one-dimensional flames is shown to be completely determined by constants such as those of heat conductivity, of diffusion, and of the homogeneous reaction rates. The mathematical problem in the most general case is intractable, but three simple cases are solved fully by a mathematical method of successive approximations. The three cases are those in which diffusion is neglected compared with heat conductivity and in which reaction velocities of the following types are considered: unimolecular, bimolecular, and the quasibimolecular form of a unimolecular reaction at low pressures. The method of mathematical approximation is shown to involve errors of the order of only 10 % in some actual cases, an error which is negligible compared with other uncertainties of the problem. In these simple cases it is possible to solve all details of the structure such as the variation of composition and temperature through the flame.

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