Computer simulation for the cooligomerization system

✍ Scribed by Tsuchida, Eishun ;Mishima, Kunio ;Kitamura, Kiwamu ;Shinohara, Isao ;Mimashi, Setsuo

• Publisher: Wiley (John Wiley & Sons)
• Year: 1972
• Tongue: English
• Weight: 390 KB
• Volume: 10
• Category: Article
• ISSN: 0449-296X
• DOI: 10.1002/pol.1972.170101216

✦ Synopsis

Abstract

In order to clarify the kinetic features of the styrene (A)–methyl methacrylate (B)–CCl~4~(S) cooligomerization system, a computer simulation was carried out. The experimental data on the degree of polymerization and the deviation of the cooligomer composition from the statistical steady‐state composition were comparatively well explained by calculations based on the kinetic equations derived from the assumed reaction scheme and the values of the velocity coefficients, although the values of the four velocity coefficients in the initiation step and the velocity coefficient of the termination by the coupling of two solvent radicals were estimated. The results of the calculation of the rate of each component reaction show that the following two reactions are the most important in the initiation and in the transfer and termination steps when the [S]/([A] + [B]) ratio is large:

where, A, A*, and P are styrene, polystyryl radical, and the cooligomer, respectively. Moreover, it was concluded that the deviation of the cooligomer composition from the statistical steady‐state composition was caused by these two reactions.