globalchange  > 全球变化的国际研究计划
项目编号: 1605411
项目名称:
Ionic Polyimides: Design, Synthesis, Characterization and Modeling of a Versatile Material Platform for Membrane Separations
作者: Jason Bara
承担单位: University of Alabama Tuscaloosa
批准年: 2016
开始日期: 2016-08-15
结束日期: 2019-07-31
资助金额: 415000
资助来源: US-NSF
项目类别: Standard Grant
国家: US
语种: 英语
特色学科分类: Engineering - Chemical, Bioengineering, Environmental, and Transport Systems
英文关键词: ionic polyimide ; project ; separation ; computer modeling ; modeling field ; actual industrial gas separation process ; polymer membrane ; long membrane lifetime ; polymer membrane technology ; conventional polyimide ; air separation ; cost separation ; individual material ; polymeric material ; gas separation ; comprehensive membrane model ; nanostructured polymer membrane ; engineering advanced polymer materials ; polymer material
英文摘要: Proposal Number: 1605411, PI: Bara, J.E.
Title: Engineering Advanced Polymer Materials as Membranes for Energy Efficient Gas Separations

Gas separations such as air separation (oxygen/nitrogen), carbon dioxide/methane in natural gas, and syngas (hydrogen/carbon monoxide) are important components of industrial chemical processes that produce many of the most economically important materials vital for the Nation's economy and well being. Traditionally, these separations have been carried out using well-established, but energy intensive operations such as distillation or absorption and stripping processes. Use of polymer membranes offers an alternative approach to perform these separations in an energy efficient manner and with lower investment cost. However, gaps still exist that block the wider use of polymer membranes technologies. This project will provide the fundamental research that is needed to understand the role of polymer structure and chemistry on performance attributes such as enhanced throughput, increased product purity and long membrane lifetimes. Through the use of synthetic chemistry, polymer engineering, and computer modeling, this project will combine the most important structural elements from the separate classes of polymer materials into unique and unprecedented polymer structures that possess the desirable properties of each individual material while aiming to eliminate or minimize the respective limitations. Investigation of the new polymers being developed in this project will open a vast new library of materials for use in a variety of engineering applications. Furthermore, the computer simulations being employed will advance the ways in which researchers visualize and understand polymeric materials at the molecular level. This project will train graduate and undergraduate students to work in a synergistic experimental and computational environment, an important aspect of 21st century research. This project will also involve outreach activities centered around 3-D printing and mobile apps for smartphones to inform a wider range of students on concepts in engineering using tools and games that they are familiar with.

The key objectives of this research are to experimentally and computationally understand the structure-property-performance relationships underlying ionic polyimide polymer membranes for gas separations. This work will assess the utility of ionic polyimides across several key gas pairs related to energy production and greenhouse gas emissions. By combining elements of polyimides, ionic liquids, polymers of intrinsic microporosity and ligands used in metal organic frameworks, the ionic polyimide design strategy is completely unexplored and provides the ability to control and improve polymer properties such as fractional free volume (FFV) based on non-covalent supramolecular assembly driven by coulombic attractions, which may also assist in slowing/stopping polymer aging. The fundamental understanding of ionic polyimide performance will be enhanced with the development of unique molecular-level simulation models. Three different levels of model resolution will be employed (quantum mechanics, molecular dynamics, and kinetic Monte Carlo) in order to build a comprehensive membrane model with explicit gas/polymer/gas interfaces. This will move the modeling field a significant step closer towards realistic representations of the experimental systems, allowing the description of gradient-driven flow, similar to the pressure-drop environment associated with actual industrial gas separation processes. The success of this project will translate to major advancements in the ability to build nanostructured polymer membranes, for lower energy and cost separations. Furthermore, ionic polyimides are likely to be desirable for many other applications based on the well-known broad utility of conventional polyimides as high-performance polymers.
资源类型: 项目
标识符: http://119.78.100.158/handle/2HF3EXSE/91456
Appears in Collections:全球变化的国际研究计划
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Jason Bara. Ionic Polyimides: Design, Synthesis, Characterization and Modeling of a Versatile Material Platform for Membrane Separations. 2016-01-01.
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