Monte Carlo Simulation on the Semi-batch Process in the Self-condensing Vinyl Polymerization System in the Presence of Core Initiators †

doi:10.7503/cjcu20190221

Abstract

Abstract:

The semi-batch process of the self-condensing vinyl polymerization in the presence of core initiators was investigated by the method of Monte Carlo simulation. An attempt was made to find the influence of diffe-rent feeding ways on the weight-average molecular weight and polydispersity index of the resultant polymers. Specifically, we presented several semi-batch modes, such as the case that core initiators are fed into the reactor at distinct conversions, and different feeding ways together with their details concerning the added molecules and conversions. Consequently, a significant effect of the semi-batch process on the present system was found, which is expected to be useful in the large-scale production of hyperbranched polymers.

Key words: Self-condensing vinyl polymerization, Semi-batch, Weight-average molecular weight, Polydispersity index, Monte Carlo simulation

CLC Number:

O631

TrendMD:

WANG Qianqian,YIN Luping,GU Fang,WANG Haijun. Monte Carlo Simulation on the Semi-batch Process in the Self-condensing Vinyl Polymerization System in the Presence of Core Initiators ^†[J]. Chem. J. Chinese Universities, 2019, 40(10): 2241.

Figures/Tables 8

Fig.1 Plots of Mw and Mcw against conversion x N=105, f=4.

Fig.2 Plots of Mw(A), Mwc(B), MwT(C) and PI(D) against x in the case of feeding core initiators at conversions of 0(a, batch), 0.2(b), 0.4(c), 0.6(d) and 0.8(e) N=105, α=0.05, f=4.

Fig.3 Plots of PI against f in the case of feeding core initiators of functionality f at conversions of 0(a, batch), 0.2(b), 0.4(c), 0.6(d) and 0.8(e) N=105, α=0.05.

Fig.4 Plots of MwT(A) and PI(B) against conversion x with the mode of equal feeding inimers N=105, α=0.05, f=4. a. 5 times feeding; b. 50 times feeding; c. batch(theory).

Fig.5 Plots of MwT(A) and PI(B) against conversion x with the mode of compensatory feeding inimers N=105, α=0.05, f=4. a. 5 times feeding; b. 50 times feeding; c. batch(theory).

Fig.6 Plots of MwT(A) and PI(B) against conversion x with the mode of equal feeding inimers and initiatons N=105, α=0.05, f=4. a. 5 times feeding; b. 50 times feeding; c. batch(theory).

Fig.7 Plots of MwT(A) and PI(B) against conversion x with the mode of compensatory feeding inimers and initiators N=105, α=0.05, f=4. a. 5 times feeding; b. 50 times feeding; c. batch(theory).

Fig.8 Plots of PI against the feeding times at different xT xT: a. 0.98; b. 0.99; c. 1.00.

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