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非理想超支化反應動力學:鏈剛性和反應可逆性的影響
作者:Long Wang, Xuehao He
關鍵字:hyper
論文來源:期刊
發表時間:2012年

To deeply understand the dependence of hyperbranched
polymerization on the specialties of molecular
chain and chemical reaction, the reaction kinetics of nonideal
hyperbranched polymerizations considering the chain rigidity
and reaction reversibility are studied using the reactive threedimensional
bond fluctuation lattice model. It is found that,
with the increase of chain rigidity, the formation probability
of intramolecular rings decreases and less intramolecular
rings with larger size are formed. It results in the increase of
the degrees of polymerization and polydispersity index with
the rise of chain rigidity at higher conversion. Furthermore,
our simulation shows that the reversibility of reaction has
strong influences on the equilibrium state and kinetic process
of hyperbranched polymerizations. When the ratio of reverse
reaction probability to forward reaction probability is larger,
the conversion and degrees of polymerization quickly grow
to the equilibrium value simultaneously. At smaller reverse
reaction probability, however, the weigh-average degree of
polymerization and polydispersity index further increase
slowly after approaching the equilibrium conversion. Our
results are well-consistent with the experiments to indicate
that the introduction of the specialties of macromolecule and
chemical reaction are necessary for quantitative analysis of
the realistic hyperbranched polymerizations.

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