Bocharova V, Wojnarowska Z, Cao Peng-Fei, Fu Y, Kumar R, Li Bingrui, Novikov V N, Zhao S, Kisliuk A, Saito T, Mays Jimmy W, Sumpter B G, Sokolov A P
Chemical Sciences Division, Oak Ridge National Laboratory , Oak Ridge, Tennessee 37831, United States.
Institute of Physics, University of Silesia , Uniwersytecka 4, 40-007 Katowice, Poland.
J Phys Chem B. 2017 Dec 28;121(51):11511-11519. doi: 10.1021/acs.jpcb.7b09423. Epub 2017 Dec 15.
Polymerized ionic liquids (PolyILs) are promising candidates for a wide range of technological applications due to their single ion conductivity and good mechanical properties. Tuning the glass transition temperature (T) in these materials constitutes a major strategy to improve room temperature conductivity while controlling their mechanical properties. In this work, we show experimental and simulation results demonstrating that in these materials T does not follow a universal scaling behavior with the volume of the structural units V (including monomer and counterion). Instead, T is significantly influenced by the chain flexibility and polymer dielectric constant. We propose a simplified empirical model that includes the electrostatic interactions and chain flexibility to describe T in PolyILs. Our model enables design of new functional PolyILs with the desired T.
聚合离子液体（PolyILs）因其单离子导电性和良好的机械性能，成为众多技术应用的理想候选材料。调节这些材料的玻璃化转变温度（T）是提高室温电导率同时控制其机械性能的主要策略。在这项工作中，我们展示了实验和模拟结果，表明在这些材料中，T并不随结构单元体积V（包括单体和抗衡离子）呈现普遍的标度行为。相反，T受链柔性和聚合物介电常数的显著影响。我们提出了一个简化的经验模型，该模型包含静电相互作用和链柔性来描述PolyILs中的T。我们的模型能够设计出具有所需T的新型功能PolyILs。
