A method for deriving oligomers from sulfamide monomer and their application as electrolytes

IF 4.5 3区 工程技术 Q1 CHEMISTRY, APPLIED
Annie-Pier Larouche , Françis Barray , Sylviane Rochon , Julie Hamel-Pâquet , Sergey Krachkovskiy , Lara Faour , Nicolas Dumaresq , Sadollah Ebrahimi , Armand Soldera , Jean-Christophe Daigle
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Abstract

This paper describes the development of a method of catalytic polymerization that was then applied to synthesize sulfate-based oligomers from sulfamide. Two molecules, copper triflate and copper acetate, catalyzed the formation of oligomers with diol monomers. Two oligomers were identified as products of the reactions. Oligomers with sulfate incorporated in the backbone proved to have an ability for ion diffusion. When the oligomers were doped with lithium salt, anion transportation was predominant, as shown by solid-state NMR. The lithium ion was found to be strongly bonded to the backbone, while the anion was highly mobile. To corroborate this finding, we conducted molecular dynamics (MD) simulations, which revealed the structural characteristics and static properties of two electrolytes containing LiTFSI and two different polyethylene oxide oligomers. Interactions between the anion and cation were analyzed through computation of the radial distribution function (RDF) and the spatial distribution function (SDF). Our findings indicate that while the anion presents weak interactions with the polymer chain, the cation interacts strongly with the oligomer backbone.

Abstract Image

从磺酰胺单体中提取低聚物的方法及其作为电解质的应用
本文介绍了一种催化聚合方法的开发过程,该方法随后被应用于从氨基磺酸合成硫酸基低聚物。三酸铜和醋酸铜这两种分子可催化二元醇单体形成低聚物。两种低聚物被鉴定为反应产物。事实证明,骨架中含有硫酸盐的低聚物具有离子扩散能力。固态核磁共振显示,当低聚物掺入锂盐时,阴离子的迁移占主导地位。研究发现,锂离子与骨架紧密结合,而阴离子则具有高度流动性。为了证实这一发现,我们进行了分子动力学(MD)模拟,揭示了含有 LiTFSI 和两种不同聚环氧乙烷低聚物的两种电解质的结构特征和静态特性。我们通过计算径向分布函数(RDF)和空间分布函数(SDF)分析了阴阳离子之间的相互作用。我们的研究结果表明,阴离子与聚合物链的相互作用较弱,而阳离子与低聚物骨架的相互作用较强。
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来源期刊
Reactive & Functional Polymers
Reactive & Functional Polymers 工程技术-高分子科学
CiteScore
8.90
自引率
5.90%
发文量
259
审稿时长
27 days
期刊介绍: Reactive & Functional Polymers provides a forum to disseminate original ideas, concepts and developments in the science and technology of polymers with functional groups, which impart specific chemical reactivity or physical, chemical, structural, biological, and pharmacological functionality. The scope covers organic polymers, acting for instance as reagents, catalysts, templates, ion-exchangers, selective sorbents, chelating or antimicrobial agents, drug carriers, sensors, membranes, and hydrogels. This also includes reactive cross-linkable prepolymers and high-performance thermosetting polymers, natural or degradable polymers, conducting polymers, and porous polymers. Original research articles must contain thorough molecular and material characterization data on synthesis of the above polymers in combination with their applications. Applications include but are not limited to catalysis, water or effluent treatment, separations and recovery, electronics and information storage, energy conversion, encapsulation, or adhesion.
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