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Calculations of monomer conversion and radical concentration in reversible addition-fragmentation chain transfer radical polymerization

机译:可逆加成-断裂链转移自由基聚合中单体转化率和自由基浓度的计算

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Simple expressions are derived for the development of monomer conversion, as well as propagating radical, adduct radical, dormant chain, and dead chain concentrations in reverse addition-fragmentation transfer polymerization (RAFT). The relations for the profiles of propagating radical concentration and conversion versus time are derived and depend on group parameters of rate constants and chemical recipe. The analytical equations are verified against numerical solutions of the mass-balance differential equations. This derivation involves the steady-state hypothesis for radical and RAFT agent concentrations. The errors introduced by these assumptions are negligible when the fragmentation rate constant, k(f), is higher than 10 s(-1) or when the cross-termination rate constant, k(ct), is higher than 10(5) L.mol(-1) s(-1). [References: 30]
机译:对于单体转化的发展以及逆加成-断裂转移聚合(RAFT)中的自由基,加合物自由基,休眠链和死链浓度的发展,得出了简单的表达式。得出了自由基浓度和转化率随时间变化的曲线关系,并取决于速率常数和化学配方的组参数。针对质量平衡微分方程的数值解验证了该解析方程。此推导涉及自由基和RAFT剂浓度的稳态假设。当碎片率常数k(f)高于10 s(-1)或交叉终止率常数k(ct)高于10(5)时,由这些假设引入的误差可以忽略不计。 .mol(-1)s(-1)。 [参考:30]

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