CAREER: SIMULATION AND DESIGN OF CHEMICAL-LOOPING COMBUSTION

PI：Georgios Bollas研究所：康涅狄格大学提议编号：1054718题目：职业：化学循环燃烧的模拟和设计本研究的目标是使用最先进的试验台、中试和商业规模工厂的基本模型，探索化学循环(CL)燃烧和重整过程的真实效率极限，用于发电和/或具有固有二氧化碳捕获的氢气生产。这项工作将探索这样一种假设，即化学循环的真正效率可以被优化，以超过二氧化碳捕获的其他选择。其核心思想是：(A)将实验、动态模拟和设计优化相结合，以优化电流，并为CL提出新的实验程序，以及(B)将实验室测量转化为潜在的商业和环境效益。这一方法将为将氧载体还原和氧化动力学与当前实验技术的操作特殊性解耦提供理论上的见解。一个概念是将最优试验设计作为一个动态参数估计问题来确定CL过程的最优操作条件和单元设计。研究结果将在基于研究的在线教育材料中实施，以吸引学生学习能源和环境科学与工程。研究方法：本研究将重点研究导致最佳选择性和效率的化学环过程的概念性反应堆设计。将解决的问题包括商业应用的最佳连续反应器设计的理论探索，实验室材料测试的最佳批量实验设计，CL在发电过程和炼油厂应用中的整合，以及这些概念在大学课程中的适应。最优实验设计(OED)将用于确定反应器设计和操作条件，以研究实验室规模间歇反应器中氧载体(以及它们的性质，如选择性和流体动力学属性)的影响。将利用高压下的实验室规模测量来研究化学环流与现有煤气化工艺的潜在集成。该项目分为五项任务：(1)开发现有化学循环过程的反应器模型；(2)将使用热重分析仪(TGA)和固定床反应器进行金属氧化和还原反应的动力学测量；(3)将开发AspenONE模型，以审查化学循环过程的整体实际效率；(4)和(5)将开发和利用动态模型，用于最优控制和优化设计。将开发用户友好的模块，以将这项研究的结果整合到本科和K-12教育中。智力优势：这项研究涉及开发能够通过固有的二氧化碳捕获来产生能量和/或氢气的化学循环过程的综合模型。建模的目的是评估和探索现有的化学环工艺，并提出优化它们的方法。研究结果将有助于推进当今应用的方法学，并加强对潜在应用的局限性的了解。这种通用的建模能力将改进今天的S实验评估和明天的S化学环路过程的商业性能。新概念包括在反应堆设计、电力和氢气联产以及将化学循环集成到炼油厂和发电基础设施中应用最佳实验设计。广泛的影响：对化学循环理论极限的基本理解将导致稳健的算法，以探索CL作为环境友好型能源生产的可行选择。CL工艺的最佳设计和操作条件旨在使化石燃料发电和制氢成为一种更清洁的工艺。解决该项目的主要研究挑战，包括基于模型的设计和控制所固有的数值复杂性，将大大有助于未来对反应堆和工艺设计的研究。该项目将有助于研究生和本科生的教育，并将被整合到在线教育模块中，以培养K-12学生对能源相关科学的兴趣

PI: Georgios Bollas Institution: University of ConnecticutProposal Number: 1054718Title: CAREER: Simulation and Design of Chemical-Looping CombustionThe objective of this research is to explore the real efficiency limits of chemical-looping (CL) combustion and reforming processes for power generation and/or hydrogen production with inherent CO2 capture, using fundamental models of state-of-the-art bench-, pilot- and commercial- scale plants. The work will explore the hypothesis that the real efficiency of chemical-looping can be optimized to exceed that of other options for CO2 capture. The key ideas are, (a) to combine experimentation, dynamic simulation and design optimization to optimize current and propose new experimental procedures for CL, and (b) to translate laboratory measurements into potential commercial and environmental benefits. This approach will provide theoretical insight to decoupling oxygen carrier reduction and oxidation kinetics from the operating particularities of current experimental techniques. A concept is to use optimal experimental design as a dynamic parameter estimation problem for identifying optimal operating conditions and unit designs for CL processes. The results will be implemented in research-based online educational materials to attract students to energy and environmental science and engineering.Research Approach: This research will focus on studying conceptual reactor designs that lead to chemical-looping processes of optimal selectivity and efficiency. Issues that will be addressed include the theoretical exploration of optimal continuous reactor designs for commercial applications, optimal batch experimental designs for materials testing in the laboratory, integration of CL in power generation processes and in refinery applications, and the adaptation of these concepts in the university curriculum. Optimal experimental design (OED) will be used to define reactor designs and operating conditions for studying oxygen carriers (and the effect of their properties, such as selectivity and hydrodynamic attributes) in laboratory-scale batch reactors. Bench-scale measurements at high pressure will be utilized to study potential integration of chemical-looping with existing coal gasification processes. The project is divided into five tasks: (1) development of reactor models of currently existing chemical-looping processes; (2) a Thermo-Gravimetric Analyzer (TGA) and a fixed bed reactor will be used to conduct kinetic measurements of metal oxidation and reduction reactions; (3) AspenONE models will be developed to examine the overall real efficiency of chemical-looping processes; and (4) and (5) dynamic models will be developed and utilized for optimal control and OED. User-friendly modules will be developed to integrate the results of this research into undergraduate and K-12 education.Intellectual Merit: The research involves developing comprehensive models for simulation of chemical-looping processes capable of producing energy and/or hydrogen with inherent CO2 capture. Modeling will aim at evaluating and exploring the existing chemical-looping processes and methods will be proposed for their optimization. Research results will aid in advancing the methodologies applied today and enhance understanding of the limitations of potential applications. This generic modeling capability will result in improving today?s experimental evaluation and tomorrow?s commercial performance of chemical-looping processes. New concepts include application of optimal experimental design on reactor design, power and hydrogen cogeneration and integration of chemical-looping into refinery and power generation infrastructures.Broader Impact: Fundamental understanding of the theoretical limits in chemical-looping will result in robust algorithms for the exploration of CL as a viable option for environmentally-friendly energy production. Optimal designs and operating conditions for CL processes aim at making power generation and hydrogen production from fossil fuels a cleaner process. Resolution of the major research challenges of this project, including the numerical complexity inherent in model-based design and control, will contribute significantly to future research on reactor and process design. The project will contribute to the education of graduate and undergraduate students, and will be integrated into online educational modules, to foster K-12 students interest in energy related science