(3fe) Designing Catalysts for Structure Under Reaction Conditions | AIChE

(3fe) Designing Catalysts for Structure Under Reaction Conditions

Authors 

Ball, M. - Presenter, University of Wisconsin-Madison
Research Interests

Catalytic reactions play a vital role in the production of fuels and chemicals to meet the demands of our growing world. There exists a need to improve the efficiency of current chemical transformation processes, while developing new processes for the conversion of next generation feedstocks, including CO2, biomass, and waste materials. The development of novel catalytic materials to facilitate these chemical conversions can help meet these needs. The cornerstone of modern catalyst research is the development and utilization of catalyst structure-performance relationships. Elucidating the controlling factors of catalyst performance can enable the design of optimal catalysts for a particular transformation; however, catalyst structures often change under reaction conditions, particularly in the case of multicomponent materials. These changes under reaction conditions are not well understood even for the most important and well-studied catalytic reactions. This challenge motivates my research interest in designing catalysts for their structure under reaction conditions. By developing structure-performance relationships, utilizing the structure of catalysts under reactive environments, and relating ex situ structure to in situ structure, we can better facilitate the rational design of highly efficient catalysts.

My Ph.D. research under Prof. James Dumesic focused on the synthesis of well-controlled bimetallic surface structures to tune catalytic performance in targeted reactions. Conventional catalyst synthesis techniques, such as impregnation, can result in catalysts with monometallic species within the bimetallic system. I demonstrated that uniform, bimetallic active sites can be formed by selectively depositing a promoting metal onto a parent catalyst. By using controlled surface reactions to synthesize bimetallic catalysts, I have elucidated structure-activity relationships for Pd-based bimetallic catalysts for selective hydrogenation, hydrodechlorination, and amination reactions. Using FTIR, STEM-EDS, and XAS techniques, I concluded that the resulting Pd structure varies with catalyst composition, and that highly active, isolated Pd species can be formed at low Pd loadings. Additionally, using both in situ and ex situ characterization, we identified important changes to the catalyst surface in the presence of adsorbates, highlighting the dynamic nature of the catalyst.

My postdoctoral research under Prof. Christopher Jones encompasses the synthesis, characterization, and evaluation of both inorganic and organic materials. Through one project, I have developed the synthesis of Pt-containing single atom alloy catalysts and characterized these materials, determining that the surface structure and composition are sensitive to the surface energetics of the alloy used. These catalysts were used to measure reaction kinetics and selectivities for the hydrogenation of the multifunctional molecule, citral, with the resulting insights informing the design of improved catalysts. A second project has focused on the synthesis of quaternary ammonium-functionalized polymers used in humidity swing adsorption for CO2 capture. The addition of fluorinated polymer blocks enables the hydrophobicity of the polymers to be tuned to optimize CO2 capture under varied humidity. This work has expanded my expertise into adsorption and separations processes, as well as polymer synthesis and characterization.

Future work in my research group will focus on the rational design of catalytic materials, with an emphasis on identifying and synthesizing materials that will generate the desired structure under reaction conditions. We will utilize well-controlled materials synthesis techniques, detailed characterization under ex situ, in situ, and in operando conditions, and reaction kinetics studies combined in a systematic approach. This approach facilitates the study of a range of catalytic materials, enabling the design of improved catalysts for a wide range of chemical transformations.

Teaching Interests

My love of teaching and mentoring are a large motivation in my pursuit of an academic career. Throughout my graduate studies and postdoctoral work, I have had a variety of experiences through which I have developed my interest in teaching and gained a range of tools to be an effective instructor and mentor. I have served as a teaching assistant for undergraduate Chemical Kinetics and Reactor Design and Transport Lab courses. Additionally, I was a teaching assistant for graduate level Kinetics and Catalysis, where I developed a range of course assignments and assessments. I have also taken courses in the Delta Program for Teaching and Learning and taught Entering Research, a seminar course for students conducting research for the first time. My goal in teaching is to motivate and excite students so that they have authority over their own learning and become independent critical thinkers and problem solvers. I aim for my students to develop the skills to solve technical problems through application of fundamental principles in team-based environments.

I believe that incorporating active learning approaches is key to ensuring effective learning. The next generation of chemical engineers will face a wide range of technical challenges and I aim to guide student development of problem-solving skills through hands-on laboratory experiences and project work. I am deeply passionate about teaching and plan to continue to apply best practices from literature on teaching and learning to my own classroom. While I would be able to teach any chemical engineering course, I am particularly interested in teaching material balances and unit operations courses, as these serve as the foundation for a comprehensive chemical engineering education. I am also interested in teaching kinetics and catalysis courses at both the undergraduate and graduate level and would be interested in developing elective courses on microkinetic modeling or materials science for chemical engineers. By incorporating topics from current research into my classroom, I aim to inspire students to build upon their chemical engineering education and develop the skills needed to be the next generation of problem solvers.