CAREER: SIMULATION AND DESIGN OF CHEMICAL-LOOPING COMBUSTION

University Of Connecticut, Storrs CT

Investigators

Abstract

PI: Georgios Bollas Institution: University of Connecticut Proposal Number: 1054718 Title: CAREER: Simulation and Design of Chemical-Looping Combustion The 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