Swelling Behaviors of Natural Rubber/Solvent Systems Based on the Extended Modified Double Lattice Model

IF 1.8 4区 工程技术 Q3 POLYMER SCIENCE Macromolecular Theory and Simulations Pub Date : 2024-04-18 DOI:10.1002/mats.202400015
Sung Jin Pai, Eung Jun Kang, Won Min Ahn, Jae Sung Kim, Young Chan Bae, Ji Won Kwon, Jeong Seok Oh
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Abstract

Swelling experiments are conducted on nonfiller natural rubber using four solvents (toluene, cyclohexane, tetrahydrofuran (THF), and methylethylketone (MEK)) over temperatures from 10 to 70 °C. Toluene, cyclohexane, and THF, classified as effective solvents, show swelling ratios between 3 and 7, influenced by the crosslink density of the rubber. MEK, however, has a lower ratio of 1.5 to 2. Temperature has a minor impact on swelling compared to the crosslink density. The study evaluates the Extended Modified Double Lattice (EMDL) model for its mixing contribution in polymer network swelling, aiming to improve the Flory–Hüggins (FH) model. The superiority of EMDL above FH is in the boundary condition at the unvulcanized state, the former aligning its interaction energy with values from solvent activities in primary linear polymer/solvent solutions, unlike the FH model. The EMDL model also accounts for oriented interactions in polar solvents through a secondary lattice, linking specific interaction energy with solvent dipole moments. The study observes a nonlinear correlation between crosslinking density and sulfur amount, proposing a nonrandom mixing at lower sulfur concentrations. This model shows strong alignment with experimental data, suggesting that replacing the FH model's mixing contribution with the EMDL model could improve results with minimal additional complexity.

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基于扩展修正双晶格模型的天然橡胶/溶剂体系的溶胀行为
使用四种溶剂(甲苯、环己烷、四氢呋喃(THF)和甲基乙基酮(MEK))对非填充天然橡胶(NR)进行了溶胀实验,温度范围为 10 至 70 °C。甲苯、环己烷和四氢呋喃被归类为有效溶剂,受橡胶交联密度的影响,其溶胀率在 3 到 7 之间。与交联密度相比,温度对膨胀的影响较小。研究评估了扩展修正双晶格(EMDL)模型在聚合物网络溶胀中的混合贡献,旨在改进 Flory-Hüggins (FH)模型。EMDL 模型优于 FH 模型的地方在于未硫化状态下的边界条件,与 FH 模型不同的是,EMDL 模型将其相互作用能与初级线性聚合物/溶剂溶液中的溶剂活动值保持一致。EMDL 模型还通过二级晶格考虑了极性溶剂中的定向相互作用,将特定的相互作用能与溶剂偶极矩联系起来。研究观察到交联密度与硫磺量之间存在非线性关联,这表明在硫磺浓度较低时存在非随机混合。该模型与实验数据非常吻合,表明用 EMDL 模型取代 FH 模型的混合贡献可以在最小的额外复杂性下改进结果。本文受版权保护。
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来源期刊
Macromolecular Theory and Simulations
Macromolecular Theory and Simulations 工程技术-高分子科学
CiteScore
3.00
自引率
14.30%
发文量
45
审稿时长
2 months
期刊介绍: Macromolecular Theory and Simulations is the only high-quality polymer science journal dedicated exclusively to theory and simulations, covering all aspects from macromolecular theory to advanced computer simulation techniques.
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