CAREER: Understanding Multiscale Mass Transport in Organic Electrosynthesis: Towards a Sustainable Pathway to Nylon Precursors

风能和太阳能等可再生能源发电能力的提高，提供了新的工业应用，同时减少了对环境的影响。这个CAREER项目解决了使用电力而不是热化学手段制造普通化学中间体的关键问题。该项目将扩展对高性能电化学制造工艺设计和操作中的多尺度工艺的基本理解。为了最好地实现这一目标，该项目将把重点放在化工行业中最大的有机电化学反应上，作为模型反应：合成己二腈（ADN），尼龙的前体。通过探索多个长度尺度上的输运和化学动力学现象，该项目将确定限制电化学反应器性能的关键因素，并推导出优化操作的设计规则。该项目整合了一个教育计划，主要目标是为可持续的电化学行业培养未来的劳动力。该教育项目包括对西班牙裔学生的K-12教育，将电化学工程教育融入本科和研究生化学工程课程，创业培训活动，以及通过时尚产业的影响促进可持续化学过程的公众参与活动。这个CAREER项目提出了一个综合的研究和教育计划，其总体目标是理解有机电合成中跨相关反应器区域的多尺度传输和动力学现象：近电极区域，散装液体电解质区域和离子导电膜。了解和控制发生在这三个区域的耦合过程可以提高转化率、选择性和能量转换效率，最终实现有机电合成反应器的工业大规模部署。为了更有效地完成项目目标，将采用丙烯腈电加氢二聚的电化学合成己二腈作为模型反应。该项目分为三个研究重点。推力1。近电极过程：推力1的目标是通过原位电化学光谱技术研究驱动选择性的分子过程，然后利用这种理解来控制对所需有机产物的选择性。推力2。液体电解质过程：推力2的目标是探索中尺度（10 -1000微米）多相电化学流动反应器中质量传递和动力学过程之间的相互作用，然后利用所获得的知识来提高有机电合成反应器的性能。推力3。膜工艺：推力3的目标是了解有机电解质对离子导电膜的微观结构、渗透性和电导率的影响，并推导出膜分离有机电合成反应器的设计规则。该奖项反映了美国国家科学基金会的法定使命，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。

The increased generation capacity of renewable electricity from wind and solar offer new industrial applications with reduced environmental footprints. This CAREER project addresses key issues in the manufacture of common chemical intermediates using electricity rather than thermochemical means. The project will expand fundamental understanding of the multiscale processes in the design and operation of high-performing electrochemical manufacturing processes. To best achieve this goal, the project will focus on the largest organic electrochemical reaction implemented in the chemical industry as a model reaction: the synthesis of adiponitrile (ADN), a precursor to Nylon. By exploring transport and chemical kinetic phenomena at multiple length-scales, this project will identify key factors that limit the performance of electrochemical reactors and derive design rules for optimal operation. The project integrates an educational program with the primary objective of training a future workforce for a sustainable electrochemical industry. This educational program includes K-12 education of students from Hispanic background, integration of electrochemical engineering education in undergraduate and graduate chemical engineering curricula, entrepreneurship training activities, and public engagement activities to promote sustainable chemical processes through the influence of the fashion industry.This CAREER project presents an integrated research and education plan with the overarching goal of understanding multiscale transport and kinetic phenomena in organic electrosynthesis across the relevant reactor regions: the near-electrode region, the bulk liquid electrolyte region and ion conductive membranes. Understanding and controlling the coupled processes that take place at these three regions can result in improvements in conversion, selectivity, and energy conversion efficiency to ultimately enable the industrial large-scale deployment of organic electrosynthetic reactors. To more effectively accomplish the project goals, the electrochemical synthesis of adiponitrile via the electrohydrodimerization of acrylonitrile, will be used as a model reaction. The project is organized in three research thrusts. Thrust 1. Near-electrode processes: The goal of thrust 1 is to elucidate the molecular processes that drive selectivity by studying them with in situ electrochemical spectroscopy techniques and then use this understanding to control selectivity towards desired organic products. Thrust 2. Liquid electrolyte processes: The goal of thrust 2 is to explore the interplay between mass transport and kinetic processes in mesoscale (10's-1000's micrometers) multiphase electrochemical flow reactors and then use the knowledge gained to enhance performance of organic electrosynthesis reactors. Thrust 3. Membrane processes: The goal of thrust 3 is to understand the effects of organic electrolytes on the microstructure, permeability, and conductivity of ion-conducting membranes and to derive design rules for membrane-separated organic electrosynthesis reactors.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.