Process-Directed Self-Assembly of Copolymer Blends: I. Micro- and Macrophase Separation [0.03%]
共聚物合金的历程导向自组装I微相和宏相分离
Jiayu Xie,Marcus Müller
Jiayu Xie
The phase behavior of binary diblock copolymers features a complex interplay between microphase and macrophase separation. Using a combination of self-consistent field-theory (SCFT) and single-chain-in-mean-field (SCMF) simulations, we inve...
Process-Directed Self-Assembly of Copolymer Blends: II. Continuous Tuning of Structure Size [0.03%]
共聚物合金的进程控制自组装(二) 结构尺寸的连续调控
Jiayu Xie,Marcus Müller
Jiayu Xie
Combining self-consistent field theory and single-chain-in-mean-field simulations, we study the self-assembled morphology and structure size of binary diblock copolymer blends in equilibrium and after processingsuch as quenching, annealin...
Molar Mass Thresholds in the Structural Behavior of Benzodithiophene-Based Semiconducting Polymers [0.03%]
苯并二噻吩基半导体聚合物的结构行为中的分子量阈值研究
Matteo Sanviti,Jeromy Rech,Xiaowei Zhong et al.
Matteo Sanviti et al.
The performance of organic solar cells (OSCs) is tightly linked to the solid-state microstructure of their active layer components, particularly donor semiconducting polymers. Among these, benzodithiophene (BDT)-based polymers have gained a...
Counterion Effects of Protic Ionic Liquids on the Conductivity and Stretchability of Free-Standing PEDOT:PSS Films [0.03%]
protic离子液体抗衡阴离子对独立式PEDOT：PSS膜电导率及拉伸性能的影响研究
Thuy T Le,Fatima Abbas,Shawn Bourdo et al.
Thuy T Le et al.
Influenced by the hard-soft acid-base (HSAB) theory, different hard-soft cations and anions are used to investigate the counterion effects of ionic liquids (ILs) on electrical and mechanical characteristics of the poly-(3,4-ethylenedioxythi...
Catalyst Influence on the Crystallization Behaviors and Mechanical Properties of Polyethylene Vitrimers [0.03%]
催化剂对聚乙烯粘性晶体成核和材料力学性能的影响研究
Sara Valdez,Zhe Qiang
Sara Valdez
Polyethylene (PE)-derived vitrimers represent a promising class of reprocessable materials that combine the desirable properties of semicrystalline polyolefins with dynamic covalent networks. In this study, we investigate the influence of t...
Impact of Carbonyl Group Incorporation in Semicrystalline High-Density Polyethylene [0.03%]
含羰基官能团的半结晶高密度聚乙烯的结构与性能研究进展
Afiq Anuar,Arman Edalat,Lea Ringelhan et al.
Afiq Anuar et al.
Ketone-functionalization of polyethylene via copolymerization with carbon monoxide offers a promising route to introducing reactive carbonyl moieties while preserving the advantageous bulk properties of high-density polyethylene (HDPE). Her...
Atomistic Polymer Modeling: Recent Advances and Challenges in Building and Parametrization Workflows [0.03%]
聚合物的原子建模：构建和参数化工作流程的新进展与挑战
Hannah N Turney,Micaela Matta
Hannah N Turney
Synthetic polymers are a broad and versatile class of soft materials covering a large chemical space. "Computational microscopy" approaches such as atomistic molecular dynamics (MD) simulations are an effective tool to validate and rational...
Tuning Connectivity in a Three-Component Assembly of Metal-Organic Cage-Cross-Linked Polymer Networks [0.03%]
通过金属有机笼交联的聚合物网络调节三组件体系的连接性
Mostafa Ahmadi,Josep Duran,Albert Poater
Mostafa Ahmadi
Network connectivity strongly influences the dynamics and mechanical properties of materials such as natural tissues and hydrogels, which are known for their adaptability and self-healing. Metal-organic cages (MOCs), with modular structures...
Coarse-Graining of Slit-Confined Star Polymers in Solvents of Varying Quality [0.03%]
不同品质溶剂中受限狭缝中的星型聚合物的粗粒化模拟研究
Reyhaneh A Farimani,Christos N Likos
Reyhaneh A Farimani
We investigate star polymers with varying functionalities and under varying solvent conditions confined within a slit geometry. Our approach involves accurately estimating and validating the effective interaction by directly computing the f...
Investigating Crystallization and Morphology of PLLA/PTMC Triblock Copolymer Solid Electrolytes [0.03%]
聚乳酸-聚四氢呋喃-聚乳酸三嵌段共聚物固态电解质的结晶与形貌研究
Adriana Saldívar-Martínez,Monika Król,Janne Ruokolainen et al.
Adriana Saldívar-Martínez et al.
ABA-type block copolymers (BCPs) of poly-(trimethylene carbonate-co-trimethylene ether) (PTMC-co-PTME) and poly-l-lactic acid (PLLA) were synthesized through ring-opening polymerization. The BCP was blended with varying concentrations from ...