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Understanding ionic liquid/poly(ionic liquid) properties at the molecular level to observe their effect on the transport of solutes.

机译:在分子水平上了解离子液体/聚(离子液体)特性,以观察其对溶质传输的影响。

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摘要

The objective of this dissertation is to obtain a better understanding of how the molecular level properties of ionic liquids and poly(ionic liquids) effect the transport of solutes within the compounds. This knowledge is especially useful in regard to light gas separations, such as CO2/N2 and CO2/CH4. As was found in our research, the vast sea of potential ILs can by narrowed down considerably by using molecular dynamics simulations such as COSMOTherm. Once potentially useful cation/anion combinations are determined, laboratory synthesis and experimentation can verify whether the materials can be used as successful membranes. Additionally, this work shows how rearrangement of the conformation of sub-groups on the cation can vastly change its permeability and selectivity performance. Finally, this work also addresses a void in the literature regarding poly(IL) bulk-material studies. We show that poly(IL) materials have the potential to be superabsorbent materials, due to the behavior of the cation and anion when subjected to polar organic solvents.
机译:本文的目的是为了更好地理解离子液体和聚(离子液体)的分子水平特性如何影响溶质在化合物中的传输。该知识对于轻质气体分离(例如CO2 / N2和CO2 / CH4)特别有用。正如我们的研究发现,通过使用分子动力学模拟(例如COSMOTherm),可以大大缩小潜在的IL的范围。一旦确定了潜在有用的阳离子/阴离子组合,实验室合成和实验就可以验证该材料是否可以用作成功的膜。另外,这项工作表明,阳离子上亚基构象的重排如何极大地改变其渗透性和选择性。最后,这项工作还解决了关于聚(IL)散装材料研究的文献中的空白。我们表明,由于阳离子和阴离子在极性有机溶剂中的行为,聚(IL)材料具有成为超吸收材料的潜力。

著录项

  • 作者

    Horne, William Jeffrey.;

  • 作者单位

    The University of Alabama.;

  • 授予单位 The University of Alabama.;
  • 学科 Chemical engineering.
  • 学位 Ph.D.
  • 年度 2015
  • 页码 100 p.
  • 总页数 100
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

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