NSMDS: Sustainable chemical innovations by an integrated design approach

NSMDS：通过集成设计方法实现可持续化学创新

• 批准号: 1339661
• 负责人: Brian Laird
• 金额: $ 440万
• 依托单位: University of Kansas Center for Research Inc
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2013
• 资助国家: 美国
• 起止时间: 2013-10-01 至 2018-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1339661&HistoricalAwards=false
• 关键词: NSMDS; Sustainable; chemical; innovations; integrated

The NSF Division of Chemistry and Environmental Protection Agency support Professors Brian B. Laird, Raghunath V. Chaudhari, Bala Subramaniam, Ward H. Thompson and Jon A. Tunge of the University of Kansas for a collaborative effort on Networks for Sustainable Molecular Design and Synthesis. One challenge facing the chemical industry is the development of sustainable manufacturing processes that eliminate the use of hazardous materials, minimize waste, conserve resources, and improve safety. In this project, Professor Laird and his team of chemists and chemical engineers use an integrated approach to address this challenge. This research effort uses molecular modeling, synthesis, reactor engineering, kinetic studies and life-cycle assessments to develop and optimize the design of industrial catalytic processes for minimal environmental impact. This framework is being applied to two examples of high-volume chemical processes. One is a safer, phosgene-free route to dimethyl carbonate, which is used to manufacture polycarbonates and polyurethanes. The other process is a cleaner, more efficient route from butadiene to adipic acid, a commodity chemical used to make nylon.Phosgene, although a common industrial chemical, is toxic and detrimental to the environment. The development of green chemistry which bypasses toxic intermediates is an important goal. The discoveries and methodologies developed for the chemicals studied here find broader applications for other major chemical processes. In addition, the next generation of scientists and engineers are being trained to work in multidisciplinary teams and become skilled communicators. By translating project results into educational laboratory activities, which include high school students and/or college freshmen, a broad cross-section of the nascent workforce benefits.

美国国家科学基金会化学和环境保护局支持堪萨斯大学的 Brian B. Laird、Raghunath V. Chaudhari、Bala Subramaniam、Ward H. Thompson 和 Jon A. Tunge 教授在可持续分子设计和合成网络方面的合作。 化学工业面临的挑战之一是开发可持续的制造工艺，消除有害材料的使用，最大限度地减少浪费，节约资源并提高安全性。 在这个项目中，莱尔德教授和他的化学家和化学工程师团队使用综合方法来应对这一挑战。 这项研究工作利用分子建模、合成、反应器工程、动力学研究和生命周期评估来开发和优化工业催化过程的设计，以尽量减少对环境的影响。该框架正在应用于两个大容量化学过程的示例。一种是更安全、无光气的生产碳酸二甲酯的路线，用于制造聚碳酸酯和聚氨酯。另一种工艺是从丁二烯生产己二酸（一种用于制造尼龙的商品化学品）的更清洁、更有效的路线。光气虽然是一种常见的工业化学品，但有毒且对环境有害。 发展绕过有毒中间体的绿色化学是一个重要目标。 为这里研究的化学品开发的发现和方法为其他主要化学过程找到了更广泛的应用。 此外，下一代科学家和工程师正在接受培训，以便在多学科团队中工作并成为熟练的沟通者。通过将项目成果转化为教育实验室活动（包括高中生和/或大学新生），广大新生劳动力群体将受益。

项目成果

The activation energy for water reorientation differs between IR pump-probe and NMR measurements

红外泵探头和核磁共振测量之间水重新定向的活化能不同

• DOI: 10.1063/1.5050203
• 发表时间: 2018-10
• 期刊: The Journal of Chemical Physics
• 作者: Piskulich, Zeke A.;Thompson, Ward H.
• 通讯作者: Thompson, Ward H.