Simulation of Diffusion-Controlled Chemical Reactions

1992 ◽  
Vol 6 (5) ◽  
pp. 525 ◽  
Author(s):  
Panos Argyrakis ◽  
Harvey Gould ◽  
Jan Tobochnik
Keyword(s):  
Chemical Reactions ◽  
Diffusion Controlled

Steric factor in diffusion-controlled chemical reactions

1982 ◽  
Vol 69 (1-2) ◽  
pp. 205-212 ◽  
Author(s):  
V.M. Berdnikov ◽  
A.B. Doktorov
Keyword(s):  
Chemical Reactions ◽  
Steric Factor ◽  
Diffusion Controlled

A thermocouple method of following the non-stationary state of chemical reactions - III. The evaluation of velocity coefficients and energies of activation for the propagation and termination reactions for the initial and later stages of the polymerization of butyl acrylate

1959 ◽  
Vol 249 (1259) ◽  
pp. 445-454 ◽  
Keyword(s):  
Stationary State ◽  
Chemical Reactions ◽  
Butyl Acrylate ◽  
Energy Of Activation ◽  
Kcal Mole ◽  
Initial Value ◽  
Diffusion Controlled ◽  
Thermocouple Method ◽  
Velocity Coefficient

The changes which occur in the velocity coefficients and energies of activation for the propagation and termination reactions in the polymerization of butyl acrylate photosensitized with I . l'-azo-bis- cyclohexane carbonitrile have been studied. The rate increases slightly during the first 25% conversion and then gradually decreases throughout the remainder of the reaction, while the overall energy of activation increases slightly at later stages of the reaction. Beyond 20% conversion the energy of activation for the propagation reaction remains in the region of 13 kcal/mole and that for the termination reaction at about 17 kcal/mole. The high values of these energies of activation are consistent with both the propagation and termination reactions becoming diffusion controlled by about 20% conversion. The velocity coefficient for the propagation reaction decreases from an initial value of 2100 to 44 l. mole- 1 s- 1 at about 75% polymerization, while that for the termination reaction changes from 3.3 x 10 7 initially to 7.3 x 10 6 1. mole- 1 s- 1 at about 75% conversion.

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