Chemical Engineering Commons^™

Operational Energy Solutions For A 21st Century Battlefield, Nestor R. Levin

Space and Defense

Development of alternative energy storage and distribution capacity for the modern battlefield is a major national security interest.

Effect Of Local Chain Stiffness On Oligomer Crystallization From A Melt, Pierre Kawak, Christopher Akiki, Douglas R. Tree

Faculty Publications

While the process by which a polymer crystal nucleates from the melt has been extensively studied via molecular simulation, differences in polymer models and simulated crystallization conditions have led to seemingly contradictory results. We make steps to resolve this controversy by computing low-temperature phase diagrams of oligomer melts using Wang-Landau Monte Carlo simulations. Two qualitatively different crystallization mechanisms are possible depending on the local bending stiffness potential. Polymers with a discrete bending potential crystallize via a single-step mechanism, whereas polymers with a continuous bending potential can crystallize via a two-step mechanism that includes an intermediate nematic phase. Other model differences …

Soft Electronics And Systems For Display And Healthcare Applications, Junyi Zhao

McKelvey School of Engineering Graduate Student Theses & Dissertations

Soft electronics are emerging as a revolutionary platform, signifying a pivotal shift from performance-centric priorities to human-centered principles that emphasize accessibility, sustainability, and user experience. As conventional electronics technology approaches its performance ceiling, further improvements in performance metrics have slowed, prompting consumers to place greater importance on user experience and eco-friendliness. Compared to traditional rigid electronics, soft electronics offer the potential to seamlessly integrate biological systems with soft electronic frameworks. Motivated by these demands, this dissertation has been dedicated to bridging fundamental material studies, advanced manufacturing, novel electronic devices, system-level integrations, and practical applications. This interdisciplinary endeavor aims to establish …

Effect Of Flow Velocity On Clogging Induced By Coal Fines In Saturated Proppant Packs: A Transition From Surface Deposition To Bridging, Fansheng Huang, Fengbin Wang, Shuxun Sang, Shiqi Liu, Zhenjiang You

Research outputs 2022 to 2026

Hydraulic fracturing is a widely used technique to enhance the production of coalbed methane reservoirs. However, a common issue is the invasion of coal fines into proppant packs, leading to pore clogging and reduced conductivity. This study investigated the impact of flow velocity on clogging by coal fines in saturated proppant packs to optimize the flow velocity and alleviate clogging during dewatering. Clogging experiments induced by coal fines were conducted on saturated proppant packs with varying superficial velocities. Throughout each experiment, the permeability and effluent concentration were monitored, and the process of clogging was visually observed using an optical microscope. …

Activity: Students Find Conceptual Errors In Ai Output, Janie Brennan

Generative AI Teaching Activities

Instructor asks ChatGPT questions related to a key concept to find one where ChatGPT has conceptual errors. Ask students to find the errors and explain them.

Exploring Co2-Eor Miscibility Flooding Potential For Horus Oil Field, Western Desert, Egypt: A Simulation-Based Investigation, Attia Attia, Adel Salem Prof., Rehab El-Maghraby, Mohamed Youssef Prof.

Petroleum Engineering and Gas

Carbon dioxide (CO2) miscible flooding is becoming increasingly vital in enhanced oil recovery (EOR) not only for residual oil extraction but also for holding a potential for environmental protection, given its association with global warming. This paper explores the impact of EOR using miscible continuous gas injection on enhancing the oil productivity of the aging Horus oil field in Egypt's Western Desert. Horus field faces declining production rates and a significant water cut, with only eight wells out of 24 wells actively producing. Currently, the field maintains a stabilized oil production plateau of 1050 barrels per day, accompanied by a …

Optoelectronic And Morphological Surface Resistance Evaluation Of Laser-Induced Graphene Counter Electrodes For Potential Applications In Cesium Lead Halide Perovskite Solar Cells, Ziad Khalifa, Sameh Osama Abdellatif, Rami Ghannam

Chemical Engineering

This study investigates the physicochemical, optical, and electrical characterization of laser-induced graphene (LIG) samples for integration as counter electrodes in cesium lead halide perovskite solar cells. The impact of laser processing parameters on electrode performance is explored, including laser power, laser speed, and beam defocus. Density functional theory (DFT) computational modeling is employed for atomistic investigation and work function estimation, demonstrating the density of states (DOS), quantum capacitance of the graphene sheets, and energy work function. NiO is utilized as a hole transport layer, and the energy work function of LIG is tuned accordingly. SEM measurements estimate thin film porosity, …

The Role Of Furan Moieties On The Thermal Decomposition And Char Formation Of Intrinsically Fire-Resistant Epoxy Thermosets For Composites, Amy E. Honnig Bassett

Theses and Dissertations

Fire-retardant chemicals added to epoxy thermosets used as coatings, adhesives, and fiber-reinforced polymer composites (FRPCs) negatively impact performance and the environment. This dissertation takes a novel approach to mitigate the flammability of these systems by designing intrinsically fire-resistant epoxies via the incorporation of furan moieties. Glycidyl amines based on furfuryl amine and judiciously selected derivatives of furfuryl amine were synthesized to produce furan-based di-epoxies (FDEs) that were cured by anionic polymerization and with amine curing agents. The furan ring was found to impart additional reactivity for cross-linking and to induce char-forming reactions at higher temperatures. More importantly, the placement of …

Ready, Set, Grow: From Micelles To Giant Vesicles Via Biocatalytic Activation, Nicholas P. Bair, Qinyu Zhu, Bryon A. Staynings, Douglas R. Tree, Walter F. Paxton

Faculty Publications

Controlling physicochemical processes that drive changes in supramolecular aggregates is an important objective toward creating artificial soft micro- and nanomachines. Previous research explored the morphology control of membrane-based materials subjected to externally imposed chemical stimuli. Here, we modulate the microscale morphology of pH-responsive assemblies by using biocatalysis to internally generate changes in global pH. Catalytic reactions offer flexibility in the mechanism and rate at which stimuli are introduced to responsive assemblies, ultimately enabling precision and control over size and morphology. We observed, by dynamic light scattering and fluorescence microscopy, substantial microscale differences between assemblies subjected to manually titrated pH changes …

Biocompatibility Of Mussel-Inspired Water-Soluble Tissue Adhesives, Aishwarya V. Menon, Amelia A. Putnam-Neep, Caitlin E. Brown, Christa J. Crain, Gert Breur, Sanjeev K. Narayanan, Jonathan Wilker, Julie C. Liu

School of Chemical Engineering Faculty Publications

Wound closure in surgeries is traditionally achieved using invasive methods such as sutures and staples. Adhesion-based wound closure methods such as tissue adhesives, sealants, and hemostats are slowly replacing these methods due to their ease of application. Although several chemistries have been developed and used commercially for wound closure, there is still a need for better tissue adhesives from the point of view of toxicity, wet-adhesion strength, and long-term bonding. Catechol chemistry has shown great promise in developing wet-set adhesives that meet these criteria. Herein, we have studied the biocompatibility of a catechol-based copolymer adhesive, poly([dopamine methacrylamide]-co-[methyl methacrylate]-co-[poly(ethylene glycol) methyl …

Development And Characterization Of Automated Screen Mesh-Based Microfluidic Device To Perform Continuous Countercurrent Liquid-Liquid Extraction, Quinn Mcculloch

Nanoscience and Microsystems ETDs

Continuous Countercurrent Microfluidic Liquid-Liquid Extraction (CC-MLLE) shows tremendous potential to generate large numbers of equilibrium stages of separation in a small footprint, with a minimum of pumping, valving, and phase separation steps. However, CC-MLLE rarely appears in literature because it requires a delicate balance between capillary and hydrodynamic forces for deterministic flow.

This dissertation showcases a patented screen mesh-based CC-MLLE invention that performs stable, long-duration (> 36 hr.), countercurrent liquid-liquid extraction and achieves 37 equilibrium stages within a 38.5 μl internal volume. The device is fabricated from chemically resistant polyetheretherketone plastic, using standard machine shop equipment, a plotting cutter, screen …

Performance And Environmental Assessment Of Biochar-Based Membranes Synthesized From Traditional And Eco-Friendly Solvents, Abelline Katusiime Fionah, Isaac Oluk, Laura Brady, Diana M. Byrne, Isabel Escobar

UK CARES Faculty Publications

Water contamination resulting from coal spills is one of the largest environmental problems affecting communities in the Appalachia Region of the United States. This coal slurry contains potentially toxic substances, such as hydrocarbons, heavy metals, and coal cleaning chemicals, and its leakage into water bodies (lakes, rivers, and aquifers) can lead to adverse health effects not only for freshwater bodies and plant life but also for humans. This study focused on two major experiments. The first experiment involved the use of biochar to create a biochar–polysulfone (BC-PSf) flat-sheet multifunctional membrane to remove organic contaminants, and the other major experiment compared …

Investigation Of Ethane Dehydrogenation And Hydrogenolysis On Pt(111), Pt(211) And Pt(100): Bayesian Quantification And Correction Of Dft-Based Enthalpic And Entropic Uncertainties, Mubarak Bello

Theses and Dissertations

Computational investigations of heterogeneously catalyzed reactions using density functional theory (DFT) are often inaccurate, largely due to uncertainties in the choice of DFT functional (enthalpic uncertainty) and approximations for modeling adsorbate movement along the catalyst surface (entropic uncertainty). This work illustrates that both uncertainties are significant in the investigation of the ethane dehydrogenation (EDH) and hydrogenolysis on Pt catalysts by considering the complete deconstruction of ethane on Pt(111), Pt(211), and Pt(100) using microkinetic modeling (MKM). Hence, this work uses both non-calibrated and Bayesian calibrated MKMs to quantify and correct inaccuracies in macroscopic properties due to both uncertainties. A Bayesian approach …

An Experimental Study On Mixed Hydrocarbon Gas On Transport Through Subsurface And Atmospheric Interfaces With Application To Natural Gas Pipline Leak Dection And Quantification, Richard Kolodziej

Civil and Environmental Engineering Theses and Dissertations

Natural gas (NG) production and usage as a fuel source have surged in recent years, becoming a critical component of the global energy system and requiring extensive belowground pipeline infrastructure. Leaks in belowground pipelines release fugitive methane (CH₄) emissions, posing significant environmental, safety, and economic risks. Effective leak detection and quantification (LDAQ) methods are essential for identifying and measuring leaks to enable timely repairs and accurately address these threats. However, few studies have characterized the effectiveness of current and advanced LDAQ survey methods for belowground NG pipelines, with existing work often limited to technology-centric evaluations or studies of …

Pulsing-Induced Healing Of A Surface Crack Of A Nickel-Based Alloy, Liwei Wang, Mingming Quan, Zhen Tan, Ming Liu, Dianlong Wang, Xiao Yang, Ying Liu, Yaning Mao, Zhimin Liang, Fuqian Yang

Chemical and Materials Engineering Faculty Publications

In this work, we demonstrate the feasibility of applying electric pulses to heal surface cracks on nickel-based alloy GH4169 under compressive load. There exists an incubation time for the onset of the healing of a crack, which is associated with local temperature at the crack tip. The crack size decreases with increasing the pulsing time at a constant healing rate prior to complete healing of the crack. Increasing compressive load accelerates the healing process. The electric pulsing leads to the formation of an influential zone surrounding the crack with the finest grain sizes in the healed crack and the coarsest …

Resilient Forward Osmosis Membranes Against Microplastics Fouling Enhanced By Mwcnts/Uio-66-Nh2 Hybrid Nanoparticles, Mitra Golgoli, Javad Farahbakhsh, Mohadeseh Najafi, Mehdi Khiadani, Michael L. Johns, Masoumeh Zargar

Research outputs 2022 to 2026

The escalating presence of microplastics (MPs) in wastewater necessitates the investigation of effective tertiary treatment process. Forward osmosis (FO) emerges as an effective non-pressurized membrane process, however, for the effective implementation of FO systems, the development of fouling-resistance FO membranes with high-performance is essential. This study focuses on the integration of MWCNT/UiO-66-NH2 as metal-organic frameworks (MOFs) and multi-wall carbon nanotubes (MWCNT) nanocomposites in thin film composite (TFC) FO membranes, harnessing the synergistic power of hybrid nanoparticles in FO membranes. The results showed that the addition of MWCNT/UiO-66-NH2 in the aqueous phase during polyamide formation changed the polyamide surface structure, and …

Dual Light Emission Of Cssni3-Based Powders Synthesized Via A Mechanochemical Process, Xuan Huang, Xiaobing Tang, Xiyu Wen, Yuebin Charles Lu, Fuqian Yang

Chemical and Materials Engineering Faculty Publications

Lead toxicity has hindered the wide applications of lead halide perovskites in optoelec- tronics and bioimaging. A significant amount of effort has been made to synthesize lead-free halide perovskites as alternatives to lead halide perovskites. In this work, we demonstrate the feasibility of synthesizing CsSnI3-based powders mechanochemically with dual light emissions under ambi- ent conditions from CsI and SnI2 powders. The formed CsSnI3-based powders are divided into CsSnI3-dominated powders and CsSnI3-contained powders. Under the excitation of ultraviolet light of 365 nm in wavelength, the CsSnI3-dominated powders emit green light with a wavelength centered at 540 nm, and the CsSnI3-contained powders …

Induction Vacuum Swing Adsorption Over Magnetic Sorbent Monoliths And Extrudates For Ethylene/Ethane Separation, Khaled Baamran, Usman Shareef, Fateme Rezaei

Chemical and Biochemical Engineering Faculty Research & Creative Works

Electrification of adsorption processes is emerging as an adaptable solution for future gas separations. This study develops magnetic sorbent structures for use in induction vacuum swing adsorption (IVSA) process specifically designed for olefin/paraffin separation. Two sorbents, namely Fe₃O₄/ZIF-7 (ethane-selective) and Fe₃O₄/13X (ethylene-selective) were developed and formulated into extrudates (Fe₂₀/ZIF-7-P) and monoliths (Fe₂₀/13X-M), and tested under different regeneration scenarios, including simultaneous and subsequent induction-evacuation, induction only, and evacuation only. The dynamic adsorption results demonstrated that regeneration under subsequent induction-evacuation improves desorption rate and capability. Under this regeneration scenario, Fe …

Emulsion Liquid Membrane (Elm) Enhanced By Nanoparticles And Ionic Liquid For Extracting Vanadium Ions From Wastewater, Qusay Al-Obaidi, Nora Yehia Selem, Muthanna H. Al-Dahhan

Chemical and Biochemical Engineering Faculty Research & Creative Works

Emulsion liquid membrane (ELM) stands out as an extraction process that has drawn much attention due to its promising prospects in industrial wastewater treatment technology. Nevertheless, the pivotal challenge is to reach high membrane stability to overcome the obstacle of applying ELM at the industrial scale. In this study, ELM was boosted by using nanoparticles (superparamagnetic iron oxide (Fe₂O₃)) in the stripping phase (W1) and ionic liquid (1-methyl-3-octyl-imidazolium-hexafluorophosphate [OMIM][PF6) in the oil phase (O) for recovering/extracting vanadium from synthetic wastewater to near completion and at the same time enhancing emulsion stability to be appropriate for industrial …

Response To Replication Stress And Maintenance Of Genome Stability By Wrn, The Werner Syndrome Protein, David K. Orren, Amrita Machwe

Markey Cancer Center Faculty Publications

Werner syndrome (WS) is an autosomal recessive disease caused by loss of function of WRN. WS is a segmental progeroid disease and shows early onset or increased frequency of many characteristics of normal aging. WRN possesses helicase, annealing, strand exchange, and exonuclease activities and acts on a variety of DNA substrates, even complex replication and re- combination intermediates. Here, we review the genetics, biochemistry, and probably physiological functions of the WRN protein. Although its precise role is unclear, evidence suggests WRN plays a role in pathways that respond to replication stress and maintain genome stability particularly in telomeric regions.