Chemical Engineering Commons^™

A Comparison Of Square-Wave Voltammetry Models To Determine The Number Of Electrons Exchanged In Metal Deposition, Ranon Fuller, Tyler Williams, Mark H. Schvaneveldt, Devin Rappleye

Faculty Publications

A comparison of square-wave voltammetry models for calculating the number of electrons exchanged in a metal deposition reaction. Experiments were conducted for silver deposition on platinum in an aqueous HNO₃ solution and for nickel and lanthanum deposition on platinum in molten LiCl. Diffusion coefficients for Ni²⁺ and La³⁺ in LiCl at 700^oC are calculated. Accuracy of soluble-soluble models versus a soluble-insoluble model is discussed. A simple method for determining the number of electrons exchanged under the constraint of well-compensated ohmic drop is proposed and evaluated.

Techno-Economic And Sustainability Analysis Of Renewable Natural Gas (Rng) Production, Eesha Bhattacharjee

USF Tampa Graduate Theses and Dissertations

Natural Gas (NG) is one of the major sources of energy currently used in the United States. Its major applications include generating electricity, domestic, and industrial heating purposes and as a transportation fuel. The largest component of NG is methane, and it contains trace amounts of hydrocarbons, some CO2 and water vapor.

Biogas (produced by anaerobic digestion (AD) of biomass) upgraded to have high purity methane (often termed as biomethane or renewable natural gas) can be used as an alternative to NG. The upgrading techniques may include CO2 separation from the biogas stream or via to a methanation facility where …

Protocol To Engineer Nanofilms Embedded Lipid Nanoparticles For Controlled And Targeted Drug Delivery (Nectar), Rashi Porwal, Stephen L. Hayward, Srivatsan Kidambi

Department of Chemical and Biomolecular Engineering: Faculty Publications

We present a protocol to engineer a substrate-mediated delivery platform comprising hyaluronic acid-coated lipid nanoparticles (HALNPs) embedded into polyelectrolyte multilayer (PEM) films. This platform allows controlled spatiotemporal release of lipid nanoparticles (LNP) by embedding them within the polyelectrolyte multilayer films matrix. HALNP conjugate with antibodies also adds the ability for targeted delivery. The use of LNP enables this platform to encapsulate both hydrophobic and hydrophilic drugs. This platform can easily be reproduced and utilized for various biomedical drug delivery applications. For complete details on the use and execution of this protocol, please refer to Hayward et al. (2015, 2016a, 2016b), …

The Effect Of Soot Models In Oxy-Coal Combustion Simulations, Kamron Groves Brinkerhoff

Theses and Dissertations

Soot in coal combustion simulations is often ignored due to its computational complexity, despite significant effects on flame temperature and radiation. In this research, a 40 kW oxy-coal combustion system is modeled using Large Eddy Simulations (LES) and a semi-empirical monodisperse coal soot model. Simulation results are compared to experimental measurements of temperature, species concentrations, and soot concentration. Cases where soot is modeled are compared with cases where soot is neglected to determine the accuracy benefits of modeling soot. The simulations were able to replicate experimental results within an acceptable level of error. Including soot in the simulations did not …

Continental Break-Up Under A Convergent Setting: Insights From P Wave Radial Anisotropy Tomography Of The Woodlark Rift In Papua New Guinea, Youqiang Yu, Frederik Tilmann, Dapeng Zhao, Stephen S. Gao, Kelly H. Liu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

To explore the dynamic mechanism of continental rifting within a convergent setting, we determine the first P wave radial anisotropic tomography beneath the Woodlark rift in southeastern Papua New Guinea, which develops within the obliquely colliding zone between the Australian and southwest Pacific plates. The rift zone is depicted as localized low-velocity anomalies with positive radial anisotropy, which rules out a dominant role of active mantle upwelling in promoting the rift development and favors passive rifting with decompression melting as main processes. Downwelling slab relics in the upper mantle bounding the rift zone are revealed based on observed high-velocity anomalies …

Modeling Of Temperature Swing Adsorption-Oxidation Of Volatile Organic Compounds, Busuyi O. Adebayo, Fateme Rezaei

Chemical and Biochemical Engineering Faculty Research & Creative Works

In this work, we simulated a single-bed 4-step temperature swing adsorption-oxidation (TSAO) process for capture and in situ oxidation of benzene, as a model VOC, over Ni/ZrO₂-SiO₂, as a dual-function material (DFM). The TSAO cycles consisted of adsorption, preheating, desorption/oxidation, and cooling steps. The model sensitive parameters were estimated via parameter estimation and validated against experimental data. Extensive parametric analysis was carried out to investigate the effects of key process variables on the TSAO performance. Model results revealed relatively good prediction of the process. Under the conditions investigated, adsorption, oxidation and total removal efficiencies were estimated …

Morphology Of Mos2 Nanosheets And Its Influence On Water/Oil Interfacial Tension: A Molecular Dynamics Study, Yang Feng, Jirui Hou, Yulong Yang, Shuting Wang, Dongsen Wang, Tingting Cheng, Zhenjiang You

Research outputs 2022 to 2026

Plate-shaped nanoparticles exhibit huge potential for a broad range of cutting-edge applications in interfacial-based science and technology, such as enhanced oil recovery in hydrocarbon reservoirs, owing to their remarkable features in superior affinity toward interfaces. Understanding the adsorption behavior of nanosheets (NSs) self-assembled at the water/oil interface (W/O interface) is crucial to elucidate the variation of interfacial tension (IFT) and establish special design criteria for efficient industrial use of NSs. Here we present a molecular dynamics study to reveal the morphology of carbon-chain modified molybdenum disulfide (MoS₂) nanosheets. The stress exerted on a nanosheet is analyzed. The simulation …

Computational Study Of The Reactions Of Heteroatomic Compounds On Ceo2, Suman Bhasker Ranganath

LSU Doctoral Dissertations

The mechanisms of ambient-temperature reactions of heteroatomic compounds catalyzed by ceria (CeO₂), an archetypical reducible oxide, for enzyme mimetics, environmental protection, and chemical synthesis are investigated in this dissertation using theoretical methods. CeO₂ is modeled with thermodynamically stable low-index surfaces exposed by commonly studied ceria thin films and nano particles. To understand phosphatase-like dephosphorylation activity, stable adsorption states and surface reactions of model phosphates are examined. Binding of the central P-atom to surface lattice oxygen (O_latt) supplemented by phosphoryl O-Ce interaction is the only stable adsorption state for the un-dissociated molecule. Deprotonation of phosphate monoesters, …

The Greenest Solar Power? Life Cycle Assessment Of Foam-Based Flexible Floatovoltaics, Koami Soulemane Hayibo, Pierce Mayville, Joshua M. Pearce

Electrical and Computer Engineering Publications

This study presents a life cycle analysis (LCA) of a 10 MW foam-based floatovoltaics (FPV) plant installed on Lake Mead, Nevada, U.S. A material inventory of the flexible crystalline silicon (c-Si)-based module involved massing and determination of material composition of the module's encapsulation layers with ATR/FTR spectroscopy and electron microscopy. The LCA was performed using SimaPro and the results were interpreted in terms of cumulative energy demands, energy payback time, global warming potential, GHG emissions, and water footprint including negative values for reduced evaporation. A sensitivity analysis was performed on the lifetime of the modules and the foam-based racking. The …

Chemical Thermodynamics—A Practical Wonderland, Rubin Battino, Trevor M. Letcher

Chemistry Faculty Publications

Chemical thermodynamics is frequently thought of as being a hard subject and quite abstract. In fact, it is one of the most practical of subjects when you consider that the field of chemical engineering (responsible for endless useful applications) is effectively applied chemical thermodynamics. In this essay, examples of these applications are given, especially with respect to sustainability. The essay first considers the limits of thermodynamics and the constraints put on it in terms of the rigorous definitions of the principal function’s energy, entropy, and Gibbs energy.

Increasing Versatility And Recyclability Of Additive Manufacturing By Utilizing Epdm/Pp Thermoplastic Vulcanizates, Nathan Zeringue

Honors Capstones

No abstract provided.

4,6-O-Phenylethylidene Acetal Protected D-Glucosamine Carbamate-Based Gelators And Their Applications For Multi-Component Gels, Pooja Sharma, Guijun Wang

Chemistry & Biochemistry Faculty Publications

The self-assembly of carbohydrate-based low molecular weight gelators has led to useful advanced soft materials. The interactions of the gelators with various cations and anions are important in creating novel molecular architectures and expanding the scope of the small molecular gelators. In this study, a series of thirteen new C-2 carbamates of the 4,6-O-phenylethylidene acetalprotected D-glucosamine derivatives has been synthesized and characterized. These compounds are rationally designed from a common sugar template. All carbamates synthesized were found to be efficient gelators and three compounds are also hydrogelators. The resulting gels were characterized using optical microscopy, atomic force microscopy, …

Potassic Volcanism Induced By Mantle Upwelling Through A Slab Window: Evidence From Shear Wave Splitting Analyses In Central Java, Fansheng Kong, Stephen S. Gao, Kelly H. Liu, Jiabiao Li

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

To delineate the mantle flow fields in the vicinity of a previously proposed slab window and the possible roles that they may play in the formation of potassic volcanism in Central Java, we conduct shear wave splitting analyses using both local S and teleseismic XKS waves (including SKS, SKKS, and PKS) recorded by 121 onshore stations and two ocean bottom seismometers (OBSs). The XKS fast orientations from the OBSs are trench normal and in accord with previous subslab anisotropy measurements. In the eastern part of Central Java, the XKS and local S fast orientations from the onshore stations are mostly …

Formulation And Processing Of Dual Functional Adsorbent/Catalyst Structured Monoliths Using An Additively Manufactured Contactor For Direct Capture/Conversion Of Co2 With Cogeneration Of Ethylene, Shane Lawson, Khaled Baamran, Kyle Newport, Fateme Rezaei, Ali A. Rownaghi

Chemical and Biochemical Engineering Faculty Research & Creative Works

Utilizing CO₂ as a mild oxidant for oxidative dehydrogenation of ethane (ODHE) is an attractive way of recycling this greenhouse contaminant. Typically, CO₂ capture and conversion processes are performed in separate beds, however, combining these processes into one bed incurs advantages of lower thermal gradient and reduced energy costs. This study formulated the first generation of structured dual-functional materials (DFMs) by directly 3D printing metal-oxide-CaO/ZSM-5 inks into monolithic contactors. Specifically, we 3D-printed monoliths with V, Ga, Ni, or Ti dopants to perform metal screening and determine which metal generates the best structured DFM for combined CO₂ capture …

Influence Of Saccharide Modifications On Heparin Lyase Iii Substrate Specificities, Jiandong Wu, Pradeep Chopra, Geert Jan Boons, Joseph Zaia

Chemical and Biochemical Engineering Faculty Research & Creative Works

A Library of 23 Synthetic Heparan Sulfate (HS) Oligosaccharides, Varying in Chain Length, Types, and Positions of Modifications, Was Used to Analyze the Substrate Specificities of Heparin Lyase III Enzymes from Both Flavobacterium Heparinum and Bacteroides Eggerthii. the Influence of Specific Modifications, Including N-Substitution, 2-O Sulfation, 6-O Sulfation, and 3-O Sulfation on Lyase III Digestion Was Examined Systematically. It Was Demonstrated that Lyase III from Both Sources Can Completely Digest Oligosaccharides Lacking O-Sulfates. 2-O Sulfation Completely Blocked Cleavage at the Corresponding Site; 6-O and 3-O Sulfation on Glucosamine Residues Inhibited Enzyme Activity. We Also Observed that There Are Differences in …

Selective Penetration Behavior Of Microgels In Superpermeable Channels And Reservoir Matrices, Yang Zhao, Baojun Bai

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Gel treatment is an effective way to attack excessive water production in many mature oilfields around the world. Selective penetration is desired for successful gel treatments. That is, gel materials should easily penetrate the target zones (i.e., channeling features such as superpermeable channels) without entering/damaging the nontarget zones (i.e., reservoir matrices or oil zones). This study revealed that presence of threshold penetration pressure (ΔPth) was responsible for selective penetration behavior of tested microgels. The concept of ΔPth was utilized to figure out favorable working conditions for effective gel treatments. Microgel dispersions were injected into superpermeable (super-k) sandpacks (mimicking super-k channels …

Kinetic And Thermodynamic Analyses For Pyrolysis Of Hemp Hurds Using Discrete Distributed Activation Energy Model, Panuphong Mankeed, Thossaporn Onsree, Salman Raza Naqvi, Sirivatch Shimpalee, Nakorn Tippayawong

Faculty Publications

In many counties, hemp is becoming a high-valued economic crop. Post-processing, more than 65% w/w of its starting material becomes waste. Herein, pyrolysis of hemp hurds/residues was investigated under low (10-50 degrees C/min) and intermediate (100-150 degrees C/min) heating rates using a discrete distributed activation energy model (DAEM). Thermochemical decomposition of hemp hurds occurred in three stages: drying, active pyrolysis, and char formation, accounting for 70-80% w/w overall weight loss. With the discrete DAEM, the model can be utilized for predicting pyrolysis behaviors of hemp hurds accurately with correlation coefficient of over 0.99. Different reaction mechanisms appeared between the low …

Electro‐Driven Materials And Processes For Lithium Recovery—A Review, Anna Siekierka, Marek Bryjak, Amir Razmjou, Wojciech Kujawski, Aleksandar N. Nikoloski, Ludovic F. Dumée

Research outputs 2022 to 2026

The mass production of lithium‐ion batteries and lithium‐rich e‐products that are required for electric vehicles, energy storage devices, and cloud‐connected electronics is driving an unprecedented demand for lithium resources. Current lithium production technologies, in which extraction and purification are typically achieved by hydrometallurgical routes, possess strong environmental impact but are also energy‐intensive and require extensive operational capabilities. The emergence of selective membrane materials and associated electro‐processes offers an avenue to reduce these energy and cost penalties and create more sustainable lithium production approaches. In this review, lithium recovery technologies are discussed considering the origin of the lithium, which can be …

Recent Advances In Structural Regulation On Non-Precious Metal Catalysts For Oxygen Reduction Reaction In Alkaline Electrolytes, Xue Wang, Li Zhang, Chang-Peng Liu, Jun-Jie Ge, Jian-Bing Zhu, Wei Xing

Journal of Electrochemistry

Oxygen reduction reaction (ORR) in alkaline electrolytes is an important electrochemical process for metal-air batteries and anion exchange membrane fuel cells (AEMFCs). However, the sluggish kinetics spurs intensive research on searching robust electrocatalysts. Non-precious metal catalysts (NPMCs) that can circumvent the cost and scarcity issues associated with platinum (Pt)-based materials have been pursued and the challenges lie in the performance improvement to rival Pt-based benchmarks. As the composition and structure of the NPMCs have a significant impact on the catalytic performance, precise regulation on the catalyst structure holds great promise to bridge the activity gap between NPMCs and Pt-based benchmarks. …

Recent Advances In Electrochemical Kinetics Simulations And Their Applications In Pt-Based Fuel Cells, Ji-Li Li, Ye-Fei Li, Zhi-Pan Liu

Journal of Electrochemistry

Theoretical simulations of electrocatalysis are vital for understanding the mechanism of the electrochemical process at the atomic level. It can help to reveal the in-situ structures of electrode surfaces and establish the microscopic mechanism of electrocatalysis, thereby solving the problems such as electrode oxidation and corrosion. However, there are still many problems in the theoretical electrochemical simulations, including the solvation effects, the electric double layer, and the structural transformation of electrodes. Here we review recent advances of theoretical methods in electrochemical modeling, in particular, the double reference approach, the periodic continuum solvation model based on the modified Poisson-Boltzmann …