September 2023 - Che-student-staff-list

Thesis Defense Announcement for Han Zhao
by Johnson, Beverly J 28 Sep '23

28 Sep '23

This email is to announce that Han Zhao, will be defending her thesis Elucidate environmental impact on the establishment of a persistent neurotoxic state via novel engineering tools, Thursday, October 5 at 2:00 PM in FRNY 3062A. The dissertation is directed by Dr. Chongli Yuan. The abstract is attached, and all are welcome to attend. Bev Johnson Graduate Program Administrator Chemical Engineering Forney Hall 2037D Purdue University 765-494-4057 [P bling]

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Thesis Defense Announcement for Jonathan Turnley
by Johnson, Beverly J 28 Sep '23

28 Sep '23

This email is to announce that Jonathan Turnley, will be defending his thesis THE CHEMISTRY OF SOLUTION PROCESSED PHOTOVOLTAICS: SYNTHESIS APPROACHES FOR METAL CHALCOGENIDE SEMICONDUCTORS, Wednesday, October 4 at 1:30 PM in PHYS 333 and by Zoom. The dissertation is directed by Dr. Rakesh Agrawal. The abstract is attached, the Zoom info is below, and all are welcome to attend. https://purdue-edu.zoom.us/j/92173594797<https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fpurdue-ed…> Bev Johnson Graduate Program Administrator Chemical Engineering Forney Hall 2037D Purdue University 765-494-4057 [P bling]

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Thesis Defense Announcement for Junkai Xie
by Johnson, Beverly J 25 Sep '23

25 Sep '23

This email is to announce that Junkai Xie, will be defending his thesis Charactering the impact of traumatic injury on neurodegenerative disease risk using engineered cell and tissue model, Monday, October 2 at 2:00 PM in FRNY 3062B and by Zoom. The dissertation is directed by Dr. Chongli Yuan. The abstract is attached, the Zoom info is below, and all are welcome to attend. Join Zoom Meeting https://purdue-edu.zoom.us/j/97870096965?pwd=cVdCT1doSmNLWkE5VCtBSitOKzBFUT…<https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fpurdue-ed…> Meeting ID: 978 7009 6965 Passcode: 734273 Bev Johnson Graduate Program Administrator Chemical Engineering Forney Hall 2037D Purdue University 765-494-4057 [P bling]

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Graduate Seminar Series-01-Dr. Chris Paolucci (UV)-September 26, 2023
by Thorp, Jason M 25 Sep '23

25 Sep '23

Dear All, On behalf of Purdue University's Davidson School of Chemical Engineering, we are glad to announce our upcoming Graduate Seminar Series Lecturer Dr. Chris Paolucci from the Department of Chemical Engineering at University of Virginia. He will be visiting Purdue University on September 26, 2023. You will find further detail regarding the lecture at the end of this email. If you have any questions, please do not hesitate to contact me. Sincerely, Jason Thorp Administrative Assistant Office: FRNY 2043 Purdue University Charles D. Davidson School of Chemical Engineering 480 Stadium Mall Drive West Lafayette, IN 47907 Phone: 765-494-7134 jthorp(a)purdue.edu<mailto:jthorp@purdue.edu> [https://marketing.purdue.edu/Email/TemplateSets/ChE/Templates/Template04/Im…]<https://engineering.purdue.edu/ChE> Graduate Seminar Series [http://marketing.purdue.edu/Email/TemplateSets/ChE/Archive/Email00046/Pictu…] Dr. Chris Paolucci Assistant Professor of Chemical Engineering, Department of Chemical Engineering, University of Virginia Website<https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fcpaolucc.…> Bio: Christopher Paolucci joined the Department of Chemical Engineering at the University of Virginia as a tenure-track Assistant Professor in Fall 2018. He received his BS in Chemical Engineering from the University of Notre Dame in 2012, and his PhD in Chemical Engineering from the University of Notre Dame in 2017 under the guidance of William F. Schneider (2012-2017) and as a visiting scholar at Purdue University under the guidance of Fabio Ribeiro, Nicholas Delgass, and Rajamani Gounder (2015). He continued his research in machine learning guided materials screening between fall 2017 and spring 2018 in the group of Jens Nørskov and Thomas Bligaard at Stanford University. Chris' expertise is the application of electronic structure calculations, molecular dynamics, Monte Carlo simulation, and kinetic modeling to problems in materials science and heterogeneous catalysis. His main research areas of interest are catalyst stability and catalyst dynamics under reaction conditions. He received the ACS PRF Doctoral New Investigator award in 2021 and the NSF CAREER award in 2022. He served as a director of the Catalysis and Reaction Engineering Division of AIChE from 2019-2021 and is currently the president of the Southeastern Catalysis Society. ******* ******* "Using Computational Modeling to Address the Dynamics and Structure Sensitivity of Metal Catalysts" Tuesday, September 26, 2023 3:00 p.m. - 4:15 p.m. FRNY G140 - Reception at 2:30 p.m. in Henson Atrium - Abstract: Catalytic reactions are often defined by their structure sensitivity, which is determined by the molecular identity of their active sites. Here, as contrasting examples, I discuss a highly structure sensitive catalyst-reaction system, and a structure-insensitive system, and use a combination of experimental and computational analyses to describe the underlying physics that results in these two disparate outcomes. Nitrous oxide (N2O), a global warming gas, is an undesirable product formed within diesel after-treatment systems. Advances in combustion engines have led to a decrease in waste heat and overall exhaust temperature. However, at these low temperatures (400 K - 600 K) N2O is formed over the diesel oxidation catalyst (DOC) unit of the aftertreatment system. The DOC is typically composed of oxide supported Pt, or Pt and Pd alloys, and its primary role is to oxidize NOx, CO, and uncombusted hydrocarbons. The molecular details of N2O formation and its structure sensitivity are debated. Here, we use density functional theory (DFT) calculations for N2O formation and accompanying reactions over different model Pt facets to gain a molecular understanding of the reaction over model Pt DOCs. Our predictions were tested using transient kinetic experiments and a microkinetic model was developed using a combination of DFT and experimental data. Taken together, our results indicate that the step-edge sites of Pt nanoparticles are the active sites for N2O formation, and the population of these sites is strongly dependent on particle size. More broadly, we anticipate that low temperature N2O formation could be used as a structure-sensitive probe to count active site populations for other reactions. Silver nanoparticles (NPs) are commercial catalysts used for selective oxidation of ethylene to ethylene oxide (EO). Upon exposure to ethylene and O2, or O2 alone, numerous studies indicate that the Ag surface reconstructs, however, the surface structures formed remain debated. Here, we use DFT sampling of potential energy surfaces implemented in the Fast Learning of Atomistic Rare Events (FLARE) code to generate a Gaussian Process (GP) interatomic potential descriptive of O-Ag interactions. Enabled by the GP potential, molecular dynamics and Monte Carlo simulations show that partially oxidized Ag surfaces promote the formation of peroxide surface intermediates that are surprisingly more selective to ethylene oxide than their monatomic counterparts. Consequently, gas conditions that either completely reduce or over-oxidize Ag surfaces lead to catalyst deactivation, while intermediate conditions result in disordered surfaces that suppresses structural differences between nanoparticle facets. These phenomena may explain the observed structure-insensitivity of ethylene epoxidation under some gas conditions. ******* ******* Davidson School of Chemical Engineering<https://engineering.purdue.edu/ChE> Purdue University West Lafayette, IN 47907 (765) 494-4050<tel:+17654944050> © 2023 Purdue University<http://www.purdue.edu/purdue/disclaimer.html> All rights reserved An equal access/equal opportunity university<http://www.purdue.edu/purdue/ea_eou_statement.html>

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Updated Graduate Seminar Series Schedule - Fall 2023
by Gonzalez, Joshua 11 Sep '23

11 Sep '23

Dear All, Please find attached the updated schedule for this semester's Graduate Seminar Series. As mentioned before, I have posted this year's seminar schedule<https://engineering.purdue.edu/ChE/aboutus/seminars> on the School website. If you have questions, please do not hesitate to contact me. Sincerely, Joshua --- [Davidson_H-Full-CMYK_1200px] <https://engineering.purdue.edu/ChE> Joshua Gonzalez Operations Coordinator [Phone_1D_11x16px] (765) 494-4365 | [Fax_1D_16x16px] (765) 494-0805

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Lost silver bracelet
by Johnson, Beverly J 05 Sep '23

05 Sep '23

We have a graduate student that lost a bracelet similar to the attached. If anyone has it or has seen it, please let me know. If you do find it, please bring it to the grad office. It has great sentimental value to her as it was a gift from her mother. I hope someone will find it and return it to her😊 Bev Johnson Graduate Program Administrator Chemical Engineering Forney Hall 2037D Purdue University 765-494-4057 [P bling] From: Raj Nandini <rnandini(a)purdue.edu> Sent: Friday, September 1, 2023 7:01 PM To: Johnson, Beverly J <bevjohnson(a)purdue.edu> Subject: Lost silver bracelet Hi Bev, I am writing to you regarding a bangle that I lost today in forney. It was a silver cuff bracelet. I wanted to know how to report it so that I can check it in the lost and found. I don't have a picture of it with me, but I have attached a picture of a similar bracelet just to give an idea of it. It was a gift from my mother so it holds a sentimental value to me, and I hope I can find it. Regards, Raj Nandini

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