Submissions from 2018
Functionalized silica facilitated proton-coupled electron transfer in electrochemical reduction of CO2, Yuxin Fang and John C. Flake
A model-based approach for controlling particle size distribution in combined cooling-antisolvent crystallization processes, N. Ghadipasha, J. A. Romagnoli, S. Tronci, and R. Baratti
Reconsidering the Analysis of Refractive-Index-Matched Polymer/Polymer/Solvent Tracer Diffusion Experiments, Brian F. Hanley
PCA-SDG Based Process Monitoring and Fault Diagnosis: Application to an Industrial Pyrolysis Furnace, Xianyao Han, Shengwei Tian, Jose A. Romagnoli, Hui Li, and Wei Sun
Investigation of an early season river flood pulse: Carbon cycling in a subtropical estuary, Benjamin J. Haywood, John R. White, and Robert L. Cook
Linear Mathematical Models in Chemical Engineering, Martin A. Hjortso
Low Temperature Direct Conversion of Methane using a Solid Superacid, Swarom Kanitkar, James H. Carter, Graham J. Hutchings, Kunlun Ding, and James J. Spivey
Biophysical analysis of fluid shear stress induced cellular deformation in a microfluidic device, Grant M. Landwehr, Andrew J. Kristof, Sharif M. Rahman, Jacob H. Pettigrew, Rachael Coates, Joseph B. Balhoff, Ursula L. Triantafillu, Yonghyun Kim, and Adam T. Melvin
Rare Earth/Transition Metal Oxides for Syngas Tar Reforming: A Model Compound Study, Jaren Lee, Rui Li, Michael J. Janik, and Kerry M. Dooley
Binding of Lignin Nanoparticles at Oil-Water Interfaces: An Ecofriendly Alternative to Oil Spill Recovery, Jin Gyun Lee, Luke L. Larive, Kalliat T. Valsaraj, and Bhuvnesh Bharti
Magnetic Field-Driven Convection for Directed Surface Patterning of Colloids, Jin Gyun Lee, Vanel Porter, William A. Shelton, and Bhuvnesh Bharti
A research experience for undergraduates (REU) program coupling energy-related research with training in entrepreneurship, Adam T. Melvin and Mike Benton
Cyanobacteria as photoautotrophic biofactories of high-value chemicals, Daniel Noreña-Caro and Michael G. Benton
Diffusion of Rodlike Polymers: Pulsed Gradient Spin Echo NMR of Poly(γ-stearyl-α,l-glutamate) Solutions and the Importance of Helix Stability, Cornelia Rosu, Ernst von Meerwall, and Paul S. Russo
Real-Time Nonlinear State Estimation in Polymerization Reactors for Smart Manufacturing, Santiago D. Salas, Jorge Chebeir, Stefania Tronci, Roberto Baratti, and José A. Romagnoli
Framework design for weight-average molecular weight control in semi-batch polymerization, S. D. Salas, N. Ghadipasha, W. Zhu, T. Mcafee, T. Zekoski, W. F. Reed, and J. A. Romagnoli
Steam-assisted crystallized Fe-ZSM-5 materials and their unprecedented activity in benzene hydroxylation to phenol using hydrogen peroxide, Meysam Shahami, Kerry M. Dooley, and Daniel F. Shantz
Data mining and clustering in chemical process databases for monitoring and knowledge discovery, Michael C. Thomas, Wenbo Zhu, and Jose A. Romagnoli
Principles of Environmental Thermodynamics and Kinetics, Kallait T. Valsarajis and Elizabeth M. Melvins
Elucidating the Impact of Molecular Structure on the F NMR Dynamics and MRI Performance of Fluorinated Oligomers, Cheng Zhang, Dong Sub Kim, Jimmy Lawrence, Craig J. Hawker, and Andrew K. Whittaker
Formation and elasticity of membranes of the class II hydrophobin Cerato-ulmin at oil-water interfaces, Xujun Zhang, Stephanie M. Kirby, Yuwu Chen, Shelley L. Anna, Lynn M. Walker, Francisco R. Hung, and Paul S. Russo
Theoretical investigation of dephosphorylation of phosphate monoesters on CeO2(111), Chuanlin Zhao and Ye Xu
Deep Learning Based Soft Sensor and Its Application on a Pyrolysis Reactor for Compositions Predictions of Gas Phase Components, Wenbo Zhu, Yan Ma, Yizhong Zhou, Michael Benton, and Jose Romagnoli
Adaptive k-Nearest-Neighbor Method for Process Monitoring, Wenbo Zhu, Wei Sun, and José Romagnoli
Generic Process Visualization Using Parametric t-SNE, Wenbo Zhu, Zachary Webb, Xianyao Han, Kaitian Mao, Wei Sun, and José Romagnoli
Submissions from 2017
Computational Evaluation of Mixtures of Hydrofluorocarbons and Deep Eutectic Solvents for Absorption Refrigeration Systems, Rubaiyet Abedin, Sharareh Heidarian, John C. Flake, and Francisco R. Hung
The application of compositional modelling to the integration of realistic re-stimulation strategies and unconventional shale gas supply chain optimization, Hope I. Asala, Jorge A.C. Chebeir, Arash Dahi-Taleghani, and Jose A. Romagnoli
A generalized stochastic modelling approach for crystal size distribution in antisolvent crystallization operations, Roberto Baratti, Stefania Tronci, and Jose A. Romagnoli
Fabrication of Photoreactive Biocomposite Coatings via Electric Field-Assisted Assembly of Cyanobacteria, Oscar I. Bernal, Bhuvnesh Bharti, Michael C. Flickinger, and Orlin D. Velev
The Application of Reservoir Simulation to the Optimization of Shale Gas Supply Chain Design and its Water Management Structure, Jorge Chebeir, Hope Asala, Arash Dahi Taleghani, and Jose A. Romagnoli
Development of shale gas supply chain network under market uncertainties, Jorge Chebeir, Aryan Geraili, and Jose Romagnoli
Influence of surfactants and humic acids on Artemia Franciscana's embryonic phospho-metabolite profile as measured by P NMR, Rachel D. Deese, Thomas K. Weldeghiorghis, Benjamin J. Haywood, and Robert L. Cook
Covalent versus localized nature of 4f electrons in ceria: Resonant angle-resolved photoemission spectroscopy and density functional theory, Tomáš Duchoň, Marie Aulická, Eike F. Schwier, Hideaki Iwasawa, Chuanlin Zhao, Ye Xu, Kateřina Veltruská, Kenya Shimada, and Vladimír Matolín
Electrochemical Reduction of CO at Functionalized Au Electrodes, Yuxin Fang and John C. Flake
A robust model-based control approach for online optimal feedback control of polymerization reactors-application to polymerization of acrylamide-water-potassium persulfate (KPS) system, Navid Ghadipasha, Aryan Geraili, Hector E. Hernandez, and Jose A. Romagnoli
On-line model-based control of crystal size distribution in cooling-antisolvent crystallization processes, Navid Ghadipasha, Jose A. Romagnoli, Stefania Tronci, and Roberto Baratti
Online Optimal Feedback Control of Polymerization Reactors: Application to Polymerization of Acrylamide-Water-Potassium Persulfate (KPS) System, Navid Ghadipasha, Wenbo Zhu, Jose A. Romagnoli, Terry McAfee, Thomas Zekoski, and Wayne F. Reed
The real-time multiple operational condition monitoring of Ethylene cracking furnace based on the principal component analysis, Xianyao Han, Shengwei Tian, Jose A. Romagnoli, Yibin Zhan, and Wei Sun
DFT-Based Method for More Accurate Adsorption Energies: An Adaptive Sum of Energies from RPBE and vdW Density Functionals, Alyssa J.R. Hensley, Kushal Ghale, Carolin Rieg, Thanh Dang, Emily Anderst, Felix Studt, Charles T. Campbell, Jean Sabin McEwen, and Ye Xu
Development of β-Hairpin Peptides for the Measurement of SCF-Family E3 Ligase Activity in Vitro via Ornithine Ubiquitination, Kaiulani M. Houston, Adam T. Melvin, Gregery S. Woss, Effrat L. Fayer, Marcey L. Waters, and Nancy L. Allbritton
A decade of effort in addressing the grand challenges in catalysis, Yu Lei and Ye Xu
Mechanistic origin of low polarization in aprotic Na-O2 batteries, Shunchao Ma, William C. McKee, Jiawei Wang, Limin Guo, Martin Jansen, Ye Xu, and Zhangquan Peng
Effects of Tailored Dispersity on the Self-Assembly of Dimethylsiloxane–Methyl Methacrylate Block Co-Oligomers, Bernd Oschmann, Jimmy Lawrence, Morgan W. Schulze, Jing M. Ren, Athina Anastasaki, Yingdong Luo, Mitchell D. Nothling, Christian W. Pester, Kris T. Delaney, Luke A. Connal, et al.
Effects of Tailored Dispersity on the Self-Assembly of Dimethylsiloxane–Methyl Methacrylate Block Co-Oligomers, Bernd Oschmann, Jimmy Lawrence, Morgan W. Schulze, Jing M. Ren, Athina Anastasaki, Yingdong Luo, Mitchell D. Nothling, Christian W. Pester, Kris T. Delaney, Luke A. Connal, et al.
Estimation of electric field effects on the adsorption of molecular superoxide species on Au based on density functional theory, Saurin H. Rawal, William C. McKee, and Ye Xu
Perspective: On the active site model in computational catalyst screening, Karsten Reuter, Craig P. Plaisance, Harald Oberhofer, and Mie Andersen
3D Printing by Multiphase Silicone/Water Capillary Inks, Sangchul Roh, Dishit P. Parekh, Bhuvnesh Bharti, Simeon D. Stoyanov, and Orlin D. Velev
Real time optimal control and state estimation in semi-batch free-radical polymerization reactors, Santiago D. Salas, Wenbo Zhu, Navid Ghadipasha, Jose A. Romagnoli, Terry McAfee, and Wayne F. Reed
Optimization of Renewable Energy Businesses under Operational Level Uncertainties through Extensive Sensitivity Analysis and Stochastic Global Optimization, S. D. Salas, A. Geraili, and J. A. Romagnoli
Online DEKF for State Estimation in Semi-Batch Free-Radical Polymerization Reactors, S. D. Salas, N. Ghadipasha, W. Zhu, J. A. Romagnoli, T. Mcafee, and W. F. Reed
Coking analysis based on the prediction of coil surface temperature in radiation section of ethylene cracking furnace, Shengwei Tian, Xianyao Han, Jose A. Romagnoli, Lifeng Ma, and Wei Sun
Characteristic and intermingled neocortical circuits encode different visual object discriminations, Guo-Rong Zhang, Hua Zhao, Nathan Cook, Michael Svestka, Eui M. Choi, Mary Jan, Robert G. Cook, and Alfred I. Geller
Simulated Temperature Programmed Desorption of Acetaldehyde on CeO2(111): Evidence for the Role of Oxygen Vacancy and Hydrogen Transfer, Chuanlin Zhao and Ye Xu
Knowledge discovery and explanation from process data using clustering and subspace search, Wenbo Zhu and Jose A. Romagnoli
Submissions from 2016
Capillary Bridging as a Tool for Assembling Discrete Clusters of Patchy Particles, Bhuvnesh Bharti, David Rutkowski, Koohee Han, Aakash Umesh Kumar, Carol K. Hall, and Orlin D. Velev
Regeneration of a supported Nafion® catalyst for the double-bond isomerization of octadecenes, James E. Bruno and Kerry M. Dooley
Shale gas supply chain network design and operation incorporating rigorous well simulations, Jorge Chebeir, Hope Asala, Aryan Geraili, Arash Dahi Taleghani, and Jose Romagnoli
Development of Shale Gas Supply Chain Network under Market Uncertainties, Jorge Chebeir, Aryan Geraili, and Jose Romagnoli
Surfactant toxicity to and the influence of humic acid and chemical composition, Rachel D. Deese, Madeline R. LeBlanc, and Robert L. Cook
Simple Benchtop Approach to Polymer Brush Nanostructures Using Visible-Light-Mediated Metal-Free Atom Transfer Radical Polymerization, Emre H. Discekici, Christian W. Pester, Nicolas J. Treat, Immy Lawrence, Kaila M. Mattson, Benjaporn Narupai, Edward P. Toumayan, Yingdong Luo, Alaina J. McGrath, Paul G. Clark, et al.
Simple Benchtop Approach to Polymer Brush Nanostructures Using Visible-Light-Mediated Metal-Free Atom Transfer Radical Polymerization, Emre H. Discekici, Christian W. Pester, Nicolas J. Treat, Immy Lawrence, Kaila M. Mattson, Benjaporn Narupai, Edward P. Toumayan, Yingdong Luo, Alaina J. McGrath, Paul G. Clark, et al.
A Decision Support Tool for Optimal Design of Integrated Biorefineries under Strategic and Operational Level Uncertainties, A. Geraili, S. Salas, and J. A. Romagnoli
Combining on-line characterization tools with modern software environments for optimal operation of polymerization processes, Navid Ghadipasha, Aryan Geraili, Jose A. Romagnoli, Carlos A. Castor, Michael F. Drenski, and Wayne F. Reed
First Steps towards Online Optimal Control of Molecular Weight in Batch and Semi-batch Free-Radical Polymerization Reactors, N. Ghadipasha, A. Geraili, J. A. Romagnoli, C. Castor, and W. F. Reed
Spectroscopic Identification of the Au-C Bond Formation upon Electroreduction of an Aryl Diazonium Salt on Gold, Limin Guo, Lipo Ma, Yelong Zhang, Xun Cheng, Ye Xu, Jin Wang, Erkang Wang, and Zhangquan Peng
Preparation of Metalloporphyrin-Bound Superparamagnetic Silica Particles via "Click" Reaction, Javoris V. Hollingsworth, N V. Bhupathiraju, Jirun Sun, Eric Lochner, M Graça Vicente, and Paul S. Russo
Colorful Polyelectrolytes: An Atom Transfer Radical Polymerization Route to Fluorescent Polystyrene Sulfonate, Wayne Huberty, Xiaowei Tong, Sreelatha Balamurugan, Kyle Deville, Paul S. Russo, and Donghui Zhang
Guidelines for the use and interpretation of assays for monitoring autophagy (3rd edition), Daniel J. Klionsky, Kotb Abdelmohsen, Akihisa Abe, Md Joynal Abedin, Hagai Abeliovich, Abraham Acevedo Arozena, Hiroaki Adachi, Christopher M. Adams, Peter D. Adams, Khosrow Adeli, et al.
Pentafluorophenyl Ester-Functionalized Nanoparticles as a Versatile Platform for Selective and Covalent Inter-nanoparticle Coupling, Jimmy Lawrence and Todd Emrick
Pentafluorophenyl Ester-Functionalized Nanoparticles as a Versatile Platform for Selective and Covalent Inter-nanoparticle Coupling, Jimmy Lawrence and Todd Emrick
A Versatile and Scalable Strategy to Discrete Oligomers, Jimmy Lawrence, Sang-Ho Lee, Allison Abdilla, Mitchell D. Nothling, Jing M. Ren, Abigail S. Knight, Carolin Fleischmann, Youli Li, Austin S. Abrams, Bernhard V. K. J. Schmidt, et al.
A Versatile and Scalable Strategy to Discrete Oligomers, Jimmy Lawrence, Sang-Ho Lee, Allison Abdilla, Mitchell D. Nothling, Jing M. Ren, Abigail S. Knight, Carolin Fleischmann, Youli Li, Austin S. Abrams, Bernhard V. K. J. Schmidt, et al.
Identification of a p53-based portable degron based on the MDM2-p53 binding region, Adam T. Melvin, Lukas D. Dumberger, Gregery S. Woss, Marcey L. Waters, and Nancy L. Allbritton
Model System Study of Environmentally Persistent Free Radicals Formation in a Semiconducting Polymer Modified Copper Clay System at Ambient Temperature, Ugwumsinachi G. Nwosu, Lavrent Khachatryan, Sang Gil Youm, Amitava Roy, Albert Leo Dela Cruz, Evgueni E. Nesterov, Barry Dellinger, and Robert L. Cook
Formation of environmentally persistent free radical (EPFR) in iron(III) cation-exchanged smectite clay, Ugwumsinachi G. Nwosu, Amitava Roy, Albert Leo dela Cruz, Barry Dellinger, and Robert Cook
Quantum chemistry of the oxygen evolution reaction on cobalt(ii,iii) oxide – implications for designing the optimal catalyst, Craig P. Plaisance, Karsten Reuter, and Rutger A. van Santen
Polypeptide-Coated Silica Particles Dispersed in Lyotropic Liquid Crystals of the Same Polypeptide, Cornelia Rosu, Sreelatha Balamurugan, Rafael Cueto, Amitava Roy, and Paul S. Russo
Poly(colloid)s: "Polymerization" of Poly(l-tyrosine)-silica Composite Particles through the Photoinduced Cross-Linking of Unmodified Proteins Method, Cornelia Rosu, Rafael Cueto, and Paul S. Russo
Sculpting the internal architecture of fluorescent silica particles via a template-free approach, Cornelia Rosu, Andrew J. Gorman, Rafael Cueto, Kerry M. Dooley, and Paul S. Russo
Tech no-economic analysis and optimal design of integrated biorefineries under market and operational uncertainties, S. Salas, A. Geraili, and J. A. Romagnoli
Waste-Reducing Catalytic Oxidation of m-Xylene to m-Toluic Acid, Yujun Song, Kathy T. Hart, and Kerry M. Dooley
Enhanced turbine monitoring using emissions measurements and data reconciliation, Mohammed S. Syed, Kerry M. Dooley, Frantisek Madron, and F. Carl Knopf
Extracting knowledge from historical databases for process monitoring using feature extraction and data clustering, Michael C. Thomas and Jose Romagnoli
Amorphous Li2 O2 : Chemical Synthesis and Electrochemical Properties, Yelong Zhang, Qinghua Cui, Xinmin Zhang, William C. McKee, Ye Xu, Shigang Ling, Hong Li, Guiming Zhong, Yong Yang, and Zhangquan Peng
Potential-Dependent Generation of O2- and LiO2 and Their Critical Roles in O2 Reduction to Li2O2 in Aprotic Li-O2 Batteries, Yelong Zhang, Xinmin Zhang, Jiawei Wang, William C. McKee, Ye Xu, and Zhangquan Peng
Combined Experimental and Molecular Simulation Investigation of the Individual Effects of Corexit Surfactants on the Aerosolization of Oil Spill Matter, Zenghui Zhang, Paria Avij, Matt J. Perkins, Thilanga P. Liyana-Arachchi, Jennifer A. Field, Kalliat T. Valsaraj, and Francisco R. Hung
Submissions from 2015
CO2 electrocatalytic reduction at gold and copper electrodes: Role of particle size and surface chemistry, Evan Andrews, John Flake, and Yuxin Fang
The use of chlorate, nitrate, and perchlorate to promote crude oil mineralization in salt marsh sediments, Maeghan Brundrett, Juske Horita, Todd Anderson, John Pardue, Danny Reible, and W Andrew Jackson
Double-bond isomerization of hexadecenes with solid acid catalysts, James E. Bruno and Kerry M. Dooley
Electrochemical reduction of CO2 using bi-layer Cu2O electrodes, J. Bugayong and G. L. Griffin
Reactivity and reaction intermediates for acetic acid adsorbed on CeO2(1 1 1), Florencia C. Calaza, Tsung Liang Chen, David R. Mullins, Ye Xu, and Steven H. Overbury
A framework for optimal design of integrated biorefineries under uncertainty, Aryan Geraili and Jose A. Romagnoli
A Modeling Framework for Optimal Design of Renewable Energy Processes Under Market Uncertainty, Aryan Geraili and Jose A. Romagnoli
A multi-layered optimization framework for design and analysis of renewable energy systems, Aryan Geraili and Jose A. Romagnoli
A multiobjective optimization framework for design of integrated biorefineries under uncertainty, Aryan Geraili and Jose A. Romagnoli
A deterministic formulation and on-line monitoring technique for the measurement of salt concentration in non-isothermal antisolvent crystallization processes, Navid Ghadipasha, Roberto Baratti, Stefania Tronci, and Jose A. Romagnoli
On-line control of crystal properties in nonisothermal antisolvent crystallization, Navid Ghadipasha, Jose A. Romagnoli, Stefania Tronci, and Roberto Baratti
A real time particle size control framework in non-isothermal antisolvent crystallization processes, N. Ghadipasha, S. Tronci, R. Baratti, and J. A. Romagnoli
Unlocking the energy capabilities of micron-sized LiFePO4, Limin Guo, Yelong Zhang, Jiawei Wang, Lipo Ma, Shunchao Ma, Yantao Zhang, Erkang Wang, Yujing Bi, Deyu Wang, William C. McKee, et al.
Effects of Temperature, Oxygen Level, Ionic Strength, and pH on the Reaction of Benzene with Hydroxyl Radicals at the Air-Water Interface in Comparison to the Bulk Aqueous Phase, Aubrey A. Heath and Kalliat T. Valsaraj