William G. Lowrie Department of Chemical and Biomolecular Engineering, The Ohio State University, 151 W. Woodruff Ave., Columbus, Ohio 43210, USA.
J Chem Phys. 2018 Oct 28;149(16):163313. doi: 10.1063/1.5029260.
Using a coarse-grained ionomer model for polyethylene-co-methacrylic acid that includes associating acid groups along with pendant anions and unbound counterions, we investigate how ionomer mechanical behavior depends on the acid and ion content. We find that the modulus and yield stress increase as the ion content increases, at all strain rates considered. This is in agreement with prior experimental results. We also apply a very strong external electric field in the melt state and then cool the system to set the aggregate order induced by the field. We find that the application of electric field increases the modulus in the direction parallel to the field, and we postulate that this is related to the observed increase in aggregate ordering in the direction perpendicular to the field.
使用包含缔合酸基团以及悬挂阴离子和未结合反离子的粗粒离子聚合物模型对聚乙烯-共-甲基丙烯酸进行研究，考察了离聚物力学性能如何取决于酸和离子含量。发现，在所有考虑的应变速率下，模量和屈服应力随离子含量的增加而增加，这与先前的实验结果一致。还在熔体状态下施加非常强的外电场，然后冷却系统以设定由场引起的聚集体有序。发现电场的施加增加了与场平行方向上的模量，并假设这与观察到的垂直于场的聚集体有序度增加有关。
