FMRG: Cyber: Manufacturing USA: Exploiting Spatio-Temporal Interdependency Between Electrochemical Manufacturing and Power Grid to Optimize Flexibility and Sustainability

化工制造业与电网的耦合程度越来越高。这是由他们在脱碳运营方面的共同利益驱动的：化工行业的目标是通过关键技术的电气化实现脱碳，而电网的目标是通过采用可再生能源（风能/太阳能）实现脱碳。因此，减轻可再生能源的固有不稳定性是一个巨大的挑战，需要克服这两个部门的脱碳。这将需要设计新的灵活技术，将电力需求从秒级转移到季节级，从地方级转移到国家级。化工行业处于独特的地位，可以帮助提供这些前所未有的灵活性。这可以通过模块化电化学（EC）技术来实现，该技术使用高度间歇的电力以分布式方式生产化学品，并且通过能量载体（例如，氢、氨、甲酸），其可用于储存、运输和再生电力。为了实现这一愿景，需要转变模式，将电子商务技术与电力市场共同设计;具体而言，需要将电子商务技术设计为积极参与电力市场的灵活性提供者，这种市场需要适当地补偿灵活性服务。更广泛地说，电子商务技术是重要的部门耦合资产，可以提供灵活性，以实现风险缓解（例如，极端天气，网络攻击），并可以在确保电网和化学品供应链以可靠，可持续和经济的方式运行方面发挥关键作用。因此，这项未来网络制造研究拨款将促进美国化学制造业的发展，并促进美国的繁荣和福利。该项目还将带来新的设计原则、仿真模型、数据和技术，以加强对下一代化学工程师、电气工程师和化学家的培训，从而利用多尺度思维开发技术和解决方案。该项目还将带来新的商业实践，促进化学和电力部门之间的协调，以帮助加快新技术的采用和脱碳工作。这个未来制造项目的目标是进行基础计算和实验研究，以设计新的和灵活的电化学（EC）技术，最好地与电网和化学品供应链相结合，以确定限制这些技术灵活性的关键方面，并确定如何最好地利用其灵活性，以实现社会规模的经济和可持续发展目标。具体来说，一个跨学科团队将：（i）开发基础设施级建模技术，捕捉化学和电力部门之间的多尺度耦合，捕捉不同类型的EC技术，并帮助确定所需的灵活性的数量和类型;（ii）开发EC技术的设备级模型，捕捉灵活性和设计之间的相互作用（例如，电池容量、斜升容量、效率、耐久性）;（iii）开发有助于识别电极材料以满足设计规范的密度泛函理论模型;以及（iv）开发实验程序以评估不同的反应化学、材料和EC配置（例如，耦合、解耦、串联、级联），并收集为建模和经济/环境评估提供信息的关键数据。这些能力将通过融合研究结合起来，这些研究将回答社会和工业相关性问题。融合的研究方法将导致新的设计原则，仿真模型，数据和技术，将作为劳动力发展计划的支柱，该计划将培养新一代化学工程师，电气工程师和化学家，利用多尺度思维开发技术和解决方案。该项目将带来新的商业实践，促进化学和电力部门之间的协调，旨在帮助加快采用电子商务技术和脱碳工作。这个未来制造奖得到了土木，机械和制造创新（CMMI），化学，生物工程，环境和运输系统（CBET），工程教育和中心（EEC），化学（CHE），数学科学部Division of Mathematical Sciences（DMS）该奖项反映了NSF的法定使命，并通过使用基金会的智力价值进行评估，更广泛的影响审查标准。

The chemical manufacturing sector and the power grid are becoming increasingly coupled. This is driven by their shared interest in decarbonizing operations: the chemical sector is aiming to decarbonize via electrification of key technologies, while the grid is aiming to decarbonize via adoption of renewable (wind/solar) power. As such, mitigating the inherent intermittency of renewable power is a grand challenge that needs to be overcome to achieve decarbonization of both sectors. This will require the design of new and flexible technologies that can shift power demands from the seconds to seasons timescale and from the local to the national level. The chemical sector is uniquely positioned to help provide these unprecedented levels of flexibility. This can be achieved via modular electrochemical (EC) technologies that use highly intermittent power to produce chemicals in a distributed manner and via the efficient production of energy carriers (e.g., hydrogen, ammonia, formic acid) that can be used to store, transport, and re-generate power. To realize this vision, a paradigm shift under which EC technologies are co-designed with electricity markets is needed; specifically, EC technologies need to be designed as flexibility providers that actively participate in electricity markets and such markets need to properly remunerate flexibility services. More broadly, EC technologies are vital sector-coupling assets that can provide flexibility to enable risk mitigation (e.g., extreme weather, cyber-attacks) and can play a key role in ensuring that the power grid and chemical supply chains operate in a reliable, sustainable, and economic manner. Accordingly, This Future CyberManufacturing research grant will boost American chemical manufacturing and advance the prosperity and welfare of the United States. The project will also lead to new design principles, simulation models, data, and technologies that enhance the training of the next-generation workforce of chemical engineers, electrical engineers, and chemists to leverage multiscale thinking to develop technologies and solutions. The project will also lead to new business practices that foster coordination between chemical and power sectors with the goal of helping accelerate the adoption of new technologies and decarbonization efforts. The goal of this Future Manufacturing project is to conduct fundamental computational and experimental research to design new and flexible electrochemical (EC) technologies that best integrate with the power grid and with chemical supply chains, to identify key aspects that limit flexibility of these technologies, and to determine how to best exploit their flexibility to achieve economic and sustainability goals at a societal scale. Specifically, an interdisciplinary team will: (i) develop infrastructure-level modeling techniques that capture the multiscale coupling between the chemical and power sectors that capture different types of EC technologies and help identify amounts and types of flexibility needed; (ii) develop device-level models for EC technologies that capture the interplay between flexibility and design (e.g., cell capacity, ramping capacity, efficiency, durability); (iii) develop density functional theory models that help identify electrode materials to meet design specifications; and (iv) develop experimental procedures to evaluate different reaction chemistries, materials, and EC configurations (e.g., coupled, decoupled, tandem, cascade), and to collect key data that informs modeling and economic/environmental assessments. These capabilities will be combined via convergent studies that will answer questions of societal and industrial relevance. The convergent research approach will lead to new design principles, simulation models, data, and technologies that will serve as the backbone of a workforce development plan that will train a new generation of chemical engineers, electrical engineers, and chemists that leverage multiscale thinking to develop technologies and solutions. The project will lead to new business practices that foster coordination between the chemical and power sectors with the goal of helping accelerate the adoption of EC technologies and decarbonization efforts. This Future Manufacturing award was supported by the Divisions of Civil, Mechanical and Manufacturing Innovation (CMMI), Chemical, Bioengineering, Environmental and Transport Systems (CBET), Engineering Education and Centers (EEC), Chemistry (CHE), and the Division of Mathematical Sciences (DMS).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.