U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005-5069, USA.
J Chem Phys. 2013 Jan 14;138(2):024908. doi: 10.1063/1.4774373.
The morphological and mechanical properties of entangled ABA triblock copolymer gels, where solvent were selective to the midblock, were studied as a function of polymer concentration using a novel dissipative particle dynamics model which includes a modified segmental repulsive potential that restricts chain crossing. Morphological properties, such as micelle size, distance between micelles, and the bridge fraction, were calculated as a function of concentration. Although the micelle size was shown to have a strong dependence on concentration, the bridge fraction and distance between micelles were shown to plateau at moderate concentrations. Deformation under uni-axial tension was also performed to extract the cross-link and entanglement contribution to the elastic modulus. Scaling results qualitatively agree with other theoretical predications.
研究了形态和力学性能缠结的 ABA 三嵌段共聚物凝胶，其中溶剂是对中间嵌段有选择性的，作为聚合物浓度的函数使用一种新颖的耗散粒子动力学模型进行了研究，该模型包括了一种改进的分段排斥势，限制了链交叉。形态特性，如胶束尺寸、胶束之间的距离和桥分数，作为浓度的函数进行了计算。虽然胶束尺寸被证明与浓度有很强的依赖性，但桥分数和胶束之间的距离在中等浓度下表现出平台化。还进行了单轴拉伸变形，以提取交联和缠结对弹性模量的贡献。标度结果定性上与其他理论预测相符。
