稳态自由基聚合过程中分子量分布的解析表达式

IF 4.1 2区化学 Q2 POLYMER SCIENCE

Polymer Pub Date : 2025-04-18 DOI:10.1016/j.polymer.2025.128427

Shenhua Jiao, Rui Liu, Xiaowen Lin, Xi Chen

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引用次数: 0

摘要

Flory分布以描述聚合物的链长分布（CLD）和分子量分布（MWD）而闻名。然而，它不能用于许多反应机理复杂的聚合，如双分子终止反应和涉及机理的可逆反应。在这项工作中，提出了一个更一般的公式来推广Flory分布。推导了各种自由基聚合体系的CLD和MWD的解析表达式，包括自由基聚合（FRP）、原子转移自由基聚合（ATRP）和可逆加成-破碎链转移（RAFT）聚合。通过与其他建模方法数值解的比较，进一步验证了推导式的结果，验证了推导研究的有效性和准确性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Analytical expressions for molecular weight distribution in steady-state radical polymerizations

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Analytical expressions for molecular weight distribution in steady-state radical polymerizations

The Flory distribution is well known for describing the chain length distribution (CLD) and the molecular weight distribution (MWD) of polymers. However, it cannot be used for many polymerizations with complex reaction mechanisms, such like bi-molecular termination and reversible reactions involved mechanisms. In this work, a more general formula is proposed to extend the Flory distribution. Analytical expressions for CLD and MWD are derived for various radical polymerization systems, including free radical polymerization (FRP), atom-transfer radical polymerization (ATRP), and reversible addition–fragmentation chain transfer (RAFT) polymerization. The results obtained using the derived analytical expressions are further validated by comparison with numerical solutions of other modeling methods, confirming the efficiency and accuracy of this derivation study.

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来源期刊

Polymer 化学-高分子科学

CiteScore

7.90

自引率

8.70%

发文量

959

审稿时长

32 days

期刊介绍： Polymer is an interdisciplinary journal dedicated to publishing innovative and significant advances in Polymer Physics, Chemistry and Technology. We welcome submissions on polymer hybrids, nanocomposites, characterisation and self-assembly. Polymer also publishes work on the technological application of polymers in energy and optoelectronics. The main scope is covered but not limited to the following core areas: Polymer Materials Nanocomposites and hybrid nanomaterials Polymer blends, films, fibres, networks and porous materials Physical Characterization Characterisation, modelling and simulation* of molecular and materials properties in bulk, solution, and thin films Polymer Engineering Advanced multiscale processing methods Polymer Synthesis, Modification and Self-assembly Including designer polymer architectures, mechanisms and kinetics, and supramolecular polymerization Technological Applications Polymers for energy generation and storage Polymer membranes for separation technology Polymers for opto- and microelectronics.