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The influence of additives on polymer matrix mobility and the glass transition
Soft Matter ( IF 2.9 ) Pub Date : 2020-11-03 , DOI: 10.1039/d0sm01634a Jeffrey DeFelice 1 , Jane E G Lipson 1
Soft Matter ( IF 2.9 ) Pub Date : 2020-11-03 , DOI: 10.1039/d0sm01634a Jeffrey DeFelice 1 , Jane E G Lipson 1
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In the region near an interface, the microscopic properties of a glass forming liquid may be perturbed from their equilibrium bulk values. In this work, we probe how the interfacial effects of additive particles dispersed in a matrix can influence the local mobility of the material and its glass transition temperature, Tg. Experimental measurements and simulation results indicate that additives, such as nanoparticles, gas molecules, and oligomers, can shift the mobility and Tg of a surrounding polymer matrix (even for relatively small concentrations of additive; e.g., 5–10% by volume) relative to the pure bulk matrix, thus leading to Tg enhancement or suppression. Additives thus provide a potential route for modifying the properties of a polymer material without significantly changing its chemical composition. Here we apply the Limited Mobility (LM) model to simulate a matrix containing additive species. We show that both additive concentration, as well as the strength of its very local influence on the surrounding matrix material, will determine whether the Tg of the system is raised or lowered, relative to the pure matrix. We demonstrate that incorporation of additives into the simple LM simulation method, which has successfully described the behavior of bulk and thin film glassy solids, leads to direct connections with available experimental and simulation results for a broad range of polymer/additive systems.
中文翻译：
添加剂对聚合物基体迁移率和玻璃化转变的影响
在界面附近的区域中，玻璃成型液体的微观特性可能会受到它们的平衡体积值的干扰。在这项工作中，我们探讨了分散在基体中的添加剂颗粒的界面效应如何影响材料的局部迁移率及其玻璃化转变温度T g。实验测量和模拟结果表明，添加剂，例如纳米颗粒，气体分子和低聚物，可以移动的迁移率和Ť克周围聚合物基质的（即使对于相当小的浓度添加剂;例如，按体积计5-10％）相对到纯体矩阵，从而导致T g增强或抑制。因此，添加剂提供了一种在不显着改变其化学成分的情况下改变聚合物材料性能的潜在途径。在这里，我们应用有限迁移率 (LM) 模型来模拟包含添加剂种类的矩阵。我们表明，添加剂浓度及其对周围基质材料的局部影响强度将决定系统的T g相对于纯基质是升高还是降低。我们证明了将添加剂加入到简单的 LM 模拟方法中，该方法成功地描述了块状和薄膜玻璃状固体的行为，导致与广泛的聚合物/添加剂系统的可用实验和模拟结果的直接联系。
更新日期：2020-11-12
中文翻译：
添加剂对聚合物基体迁移率和玻璃化转变的影响
在界面附近的区域中，玻璃成型液体的微观特性可能会受到它们的平衡体积值的干扰。在这项工作中，我们探讨了分散在基体中的添加剂颗粒的界面效应如何影响材料的局部迁移率及其玻璃化转变温度T g。实验测量和模拟结果表明，添加剂，例如纳米颗粒，气体分子和低聚物，可以移动的迁移率和Ť克周围聚合物基质的（即使对于相当小的浓度添加剂;例如，按体积计5-10％）相对到纯体矩阵，从而导致T g增强或抑制。因此，添加剂提供了一种在不显着改变其化学成分的情况下改变聚合物材料性能的潜在途径。在这里，我们应用有限迁移率 (LM) 模型来模拟包含添加剂种类的矩阵。我们表明，添加剂浓度及其对周围基质材料的局部影响强度将决定系统的T g相对于纯基质是升高还是降低。我们证明了将添加剂加入到简单的 LM 模拟方法中，该方法成功地描述了块状和薄膜玻璃状固体的行为，导致与广泛的聚合物/添加剂系统的可用实验和模拟结果的直接联系。
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