Macromolecules·· 15 小时前精选AI 评分55
粗粒化模拟揭示支化聚合中环化与交联的竞争及临界浓度 c∗∗
Do Cycles Matter? A Comprehensive Study of Intra- and Intermolecular Reactions in Uncontrolled Branched Polymerization
AI 导读
研究用三维粗粒化分子动力学模拟 A2 + B3 逐步聚合，以及含二乙烯基交联剂和链转移剂的自由基聚合，考察分子间交联与分子内环化的竞争。两种体系中环化都会延迟凝胶化，但在固定转化率下降低分子量。
推荐理由
用三维粗粒化分子动力学比较 A2+B3 逐步聚合与自由基交联中的环化与分子间反应竞争，给出可操作的浓度判据。
创新点
提出唯象交叉浓度 c∗∗ 及 αinter/αintra ≈ c/c∗∗ 的标度关系，把单体浓度确立为在交联主导、环化主导与中间区域之间切换的统一控制参数。
图表、补充材料与最终表述以原文为准。阅读原文
来源：Macromolecules · doi.org
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