I-Corps: Virtual Lab for Coatings Design and Development

I-Corps:涂料设计和开发虚拟实验室

基本信息

  • 批准号:
    1952030
  • 负责人:
  • 金额:
    $ 5万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Standard Grant
  • 财政年份:
    2020
  • 资助国家:
    美国
  • 起止时间:
    2020-02-01 至 2022-07-31
  • 项目状态:
    已结题

项目摘要

The broader impact/commercial potential of this I-Corps project is to provide a software products that can catalyze high throughput design in the chemicals, materials, and energy space. The initial focus is to drastically cut the time to market, and development costs of functional organic coatings, which are under both regulatory and consumer pressure to develop custom solutions without loss of performance. An adjacent market is composites development, heavily dependent on fillers for its needs for lightweight materials. The computer-aided engineering market will be approximately $13 billion by 2025, while the industrial coatings market by itself is currently worth $115 billion globally. The benefits of these high-throughput solutions for development of advanced polymeric materials include reduced toxins and energy consumption. This I-Corps project leverages the use of molecular markers to develop a novel engineering design software for functional coatings. Using machine learning to correlate molecular markers to percolation threshold, and thereby failure through barrier ingress, the software would provide a unique method to down-select formulations to the most promising subset. The “virtual lab” approach is akin to high-throughput drug discovery. Current methods in coatings development fail to provide a physico-chemical or molecular underpinning to field performance and eventual failure. The design of experiments for coating assessment and formulation development commonly utilizes statistical software. This separation from mechanistic understanding often results in trial and error approaches, based largely on chemical intuition; furthermore, this leads to multiple accelerated aging runs that add significant lead time for field deployment of a given formulation as sub-optimal solutions. Developed software would provide a significant leap in design that translates to tailored polymeric advanced materials beyond functional coatings.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
这个I-Corps项目的更广泛的影响/商业潜力是提供一个软件产品,可以催化化学品,材料和能源领域的高通量设计。最初的重点是大幅缩短功能性有机涂料的上市时间和开发成本,这些涂料面临监管和消费者的压力,需要在不损失性能的情况下开发定制解决方案。一个相邻的市场是复合材料的开发,严重依赖于填料的轻质材料的需求。到2025年,计算机辅助工程市场将达到约130亿美元,而工业涂料市场本身目前在全球价值1150亿美元。这些高通量解决方案用于开发先进聚合物材料的好处包括减少毒素和能源消耗。 这个I-Corps项目利用分子标记开发了一种用于功能涂层的新型工程设计软件。使用机器学习将分子标志物与渗透阈值相关联,从而通过屏障进入失败,该软件将提供一种独特的方法来向下选择制剂到最有希望的子集。“虚拟实验室”方法类似于高通量药物发现。目前的涂料开发方法不能为现场性能和最终失效提供物理化学或分子基础。用于涂层评估和配方开发的实验设计通常利用统计软件。这种与机械理解的分离通常导致主要基于化学直觉的试错方法;此外,这导致多次加速老化运行,这为作为次优解决方案的给定制剂的现场部署增加了显著的交付周期。该奖项反映了NSF的法定使命,并通过使用基金会的知识价值和更广泛的影响审查标准进行评估,被认为值得支持。

项目成果

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Mesfin Tsige其他文献

Recent advancements in understanding the self-assembly of macroions in solution emvia/em molecular modeling
通过分子建模对溶液中大分子离子自组装的最新理解进展
  • DOI:
    10.1039/d2cc04535d
  • 发表时间:
    2022-01-01
  • 期刊:
  • 影响因子:
    4.200
  • 作者:
    Zhuonan Liu;Kun Qian;Tianbo Liu;Mesfin Tsige
  • 通讯作者:
    Mesfin Tsige

Mesfin Tsige的其他文献

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{{ truncateString('Mesfin Tsige', 18)}}的其他基金

Solution and Interfacial Properties of Catenated Polymers
链状聚合物的溶液和界面性质
  • 批准号:
    2114640
  • 财政年份:
    2022
  • 资助金额:
    $ 5万
  • 项目类别:
    Standard Grant
REU Site: Polymer Science and Engineering at The University of Akron
REU 站点:阿克伦大学高分子科学与工程
  • 批准号:
    2051052
  • 财政年份:
    2021
  • 资助金额:
    $ 5万
  • 项目类别:
    Standard Grant
Modeling Macroions – Filling the Gap Between Ions and Colloids
宏离子建模 – 填补离子和胶体之间的空白
  • 批准号:
    2106196
  • 财政年份:
    2021
  • 资助金额:
    $ 5万
  • 项目类别:
    Standard Grant
Seeding US Africa Cooperation in STEM: A Summer Workshop at Gondar University in Ethiopia
推动美非 STEM 合作:埃塞俄比亚贡德尔大学夏季研讨会
  • 批准号:
    1935833
  • 财政年份:
    2019
  • 资助金额:
    $ 5万
  • 项目类别:
    Standard Grant
EAGER: Multiscale Modeling of Mechanically-Interlocked Macromolecules
EAGER:机械连锁大分子的多尺度建模
  • 批准号:
    1912329
  • 财政年份:
    2019
  • 资助金额:
    $ 5万
  • 项目类别:
    Standard Grant
REU Site: Polymer Science and Engineering at The University of Akron
REU 站点:阿克伦大学高分子科学与工程
  • 批准号:
    1659531
  • 财政年份:
    2017
  • 资助金额:
    $ 5万
  • 项目类别:
    Standard Grant
Elucidating the Unique Self-Assembly Behavior of Macroions in Solution From Molecular Level Modeling
从分子水平建模阐明溶液中宏离子的独特自组装行为
  • 批准号:
    1665284
  • 财政年份:
    2017
  • 资助金额:
    $ 5万
  • 项目类别:
    Standard Grant
Collaborative Research: Theoretical and Experimental Investigations of Inter-Molecular forces Between Environmental Pollutants and Carbon nanotubes
合作研究:环境污染物与碳纳米管分子间作用力的理论与实验研究
  • 批准号:
    1506275
  • 财政年份:
    2015
  • 资助金额:
    $ 5万
  • 项目类别:
    Standard Grant
Bond Tension, Surface Structure and Adsorption on Bottle-Brush Tethered Polymer Layers
瓶刷系留聚合物层上的键张力、表面结构和吸附
  • 批准号:
    1410290
  • 财政年份:
    2014
  • 资助金额:
    $ 5万
  • 项目类别:
    Standard Grant
REU SITE: POLYMER SCIENCE AND ENGINEERING AT THE UNIVERSITY OF AKRON
REU 站点:阿克伦大学高分子科学与工程
  • 批准号:
    1359321
  • 财政年份:
    2014
  • 资助金额:
    $ 5万
  • 项目类别:
    Continuing Grant

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