Chemical Engineering Commons^™

Strategies To Improve The Electrochemical Performance Of Lithium-Ion Batteries By Stabilizing The Interface Of Electrode/Electrolyte, Ye Jin

Doctoral Dissertations

”Lithium-ion batteries (LIBs) provide great potential for electric vehicles, and smart grids as future energy-storage devices. However, there are many challenges in the development of the LIB industry, including low energy and power density of electrode materials, poor rate performance, short cycle life of electrode materials, and safety issues caused by the flammability of the conventional organic liquid electrolytes.

In this research, we were committed to using general approach to efficiently and economically synthesize or modify LIB materials by stabilizing the interface between electrode and electrolyte. Atomic layer deposition (ALD) method was used to coat metal oxide thin films on …

Catalytic Utilization Of Carbon Dioxide As Renewable Feedstock For Production Of Chemicals And Fuels, Abbas Alaa Jawad

Doctoral Dissertations

"The utilization of CO₂ as a renewable feedstock for producing commodity chemicals and fuels is an interesting challenge to explore new concepts and opportunities in catalysis and industrial chemistry. This sustainable approach not only leads to production of useful chemicals, but also has the potential to mitigate anthropogenic CO₂ emissions to the atmosphere. CO₂ itself is a sustainable and inexhaustibly available carbon source, however, it is inextricably linked to its inherent inertness. It is a thermodynamically stable molecule (ΔG_f = -394.01 kJ.mol^-1) with high oxidation state, hence, reactions of CO₂ must be combined …

Continuous-Flow Synthesis Of Fine Chemicals And Pharmaceutical Compounds Over Intelligent Organocatalysts With Bifunctional Reactivity, Abdo-Alslam Alwakwak

Doctoral Dissertations

“Many biological systems that utilize organic active sites to catalyze reactions under mild conditions invoke cooperative catalytic pathways, whereby two or more active sites work together to activate the reactant(s). The use of cooperative (bifunctional) catalysts and continuous flow chemistry (a reaction within the narrow channels of a micro‐ or microfluidic reactor) are commonplace in sustainable chemical transformation and attract a great deal of interest with respect to economic and environmentally-sustainable production of fine chemicals, pharmaceuticals, and agrochemicals, water treatment, as well as upgrading of biomass feedstocks. Although, some methods have been developed for immobilization of bifunctional catalysts for cooperative …

Enhanced Electrochemical Performance Of Li-Ion Battery Cathodes By Atomic Layer Deposition, Yan Gao

Doctoral Dissertations

”Li-ion battery now plays an irreplaceable role in supplying green and convenient energy. In this work, atomic layer deposition (ALD) was used to modify Li-ion battery cathode particles for performance enhancement.

An ultrathin and conductive CeO₂ ALD film was deposited on Li-rich layered cathode particles, of which the specific capacity and cyclic stability were significantly improved. On the same cathode particles, FeO_x ALD and post-annealing resulted in a stable and conductive surface spinel phase to improve the performance.

Synergetic TiN coating and Ti doping were performed on a LiFePO₄ (LFP) cathode and extended its cycle life. The …

Structured Catalysts Designed And Manufactured By 3d-Printing Technique For Functional Integration Of Catalytic Systems, Fatima Magzoub

Doctoral Dissertations

"Microporous zeolites are widely used as heterogeneous catalysts in a wide variety of chemical and petrochemical industries to produce value-added chemicals and fuels, owing to their large surface area, acid-base properties, high thermal stability, and excellent shape-selectivity.

The overall goal of this research was to shape engineer composite zeolites and fine-tune their physiochemical properties to improve the catalytic production of dimethyl ether (DME) and light olefins that are typically used as substitution to diesel fuel and polymer precursors, respectively. Specifically, HZSM-5 and silicalite-1 zeolites were formulated into monolithic contactors using 3D printing technique, followed by subsequent SAPO-34 crystals growth through …

Exploring Wellbore And Reservoir Temperature Profiles In Fluid Circulation And Production Operations, Ahmed Qasim Al Saedi

Doctoral Dissertations

"The wellbore heat flow occurs during different well operations resulting from any temperature differences between the wellbore fluid and the adjacent formation. Understanding the direction and mechanism of heat flow whether it is conduction or convection help to represent this heat exchange mathematically. However, the only available factor used to understand the heat flow behavior is the measured wellbore temperature which can be obtained from the direct measurement while drilling or circulation operations, well logging, well test, or from the production operations. Also, the initial geothermal formation temperature resulting from the geothermal gradient will help to understand the undistributed formation …

Investigating The Factors Impacting The Success Of Immiscible Carbon Dioxide Injection In Unconventional Shale Reservoirs: An Experimental Study, Sherif M. Fakher

Doctoral Dissertations

"Unconventional shale reservoirs are currently gaining significant interest due to the huge hydrocarbon volumes that they bear. Enhanced oil recovery (EOR) techniques have been suggested to increase recovery from shale reservoirs. One of the most promising EOR methods is gas EOR (GEOR), most notably carbon dioxide (CO₂). Not only can CO₂ increase oil recovery by interacting with the oil and the shale, but it has also been shown to adsorb to the shale rock and thus is effective in both EOR applications and also carbon storage purposes. This research aims to experimentally investigate several of the interactions …

Evaluation Of The Performance Of Different Polymer Gel Systems As An In-Depth Gel Treatment Using Numerical Simulation, Tariq K. Khamees

Doctoral Dissertations

"Oil production from heterogeneous and naturally fractured reservoirs are usually hindered due to the presence of high-permeability streaks and natural fractures networks. Oil production could be more lowered if there is a crossflow from the high- to the low-permeability layers and high mobility ratio. These problems are called conformance problems and the treatment is called conformance improvement technologies (CITs). The aims of CIT is to correct the heterogeneity of the reservoir and to lower the unfavorable mobility ratio. These technologies are leading to the diversion of post-treatment water into the low-permeability layers and to increase the viscosity of the displacing …

Experimental And Modeling Studies Using Packed Bed Reactors: Liquid Phase Ethylene Production By Hydrogenation Of Acetylene, Humayun Shariff

Doctoral Dissertations

"Gas-phase catalytic hydrogenation of acetylene to produce ethylene, commonly practiced in industries, has green oil formation, which leads to catalyst deactivation and sometimes reactor runaway risks due to high exothermicity. To overcome these issues as well as to increase the selectivity and conversion, liquid-phase hydrogenation of acetylene was investigated in packed bed reactors (PBR) using a commercial catalyst. The reactor performance of two-phase flow PBRs was assessed experimentally complemented by a validated mathematical model at different scales.

The selective hydrogenation of acetylene in the liquid phase over a commercial 0.5 wt% Pd/Al₂O₃ catalyst was investigated in a …

Polymeric Nanoparticle As A New Platform For High Removal Of Endotoxins From Biopharmaceutical Solutions, Sidharth Razdan

Doctoral Dissertations

"Presently, approximately one-third of all biopharmaceutical drugs are derived from biological sources like gram-negative bacteria. Gram-negative bacteria like E.coli are much cheaper to cultivate and provide higher biotherapeutic yield compared to mammalian cells. On extracting the useful biotherapeutics from the gram-negative bacterial cells (E.coli), endotoxin present in the bacteria is released in the surrounding media thus contaminating the lifesaving biotherapeutics. Application of the endotoxin-contaminated therapeutics to humans or animals can cause serious health issues like septic shock, tissue injury and ultimately death. Hence, thorough purification of biotherapeutics before parenteral application is necessary. Although there are multiple methods for …

Application Of Immobilized Palladium Monolithic Catalysts In Suzuki-Miyaura And Tsuji-Wacker Redox Reactions, Sajjad Ghobadi

Theses and Dissertations

Herein, a wholistic analysis of the viability of monolithic catalysts for redox reactions is presented. The interdisciplinary approach taken in this systematic study included preparation and investigation on Pd-on-carbon monoliths as catalysts in a flow and electrochemical settings.

The Suzuki-Miyaura reaction-focused study led to rational design, preparation, and successful application of Pd⁰-on-graphene oxide (GO) monolithic catalysts in flow conditions. In this study a combination of chemical reduction, freeze-casting, and vapor-phase reduction processes was applied to Pd-GO structures leading to the preparation of these monoliths. The Suzuki flow synthesis reactions revealed that the monolithic structure led to significantly improved …

Synthesis Of Lamno3 & Ceo2-Mnox Nanocrystals For Selective Catalytic Reduction, Joseph Lane

Honors Capstones

No abstract provided.

Process Data Analytics Using Deep Learning Techniques, Majid Moradi Aliabadi

Wayne State University Theses

In chemical manufacturing plants, numerous types of data are accessible, which could be process operational data (historical or real-time), process design and product quality data, economic and environmental (including process safety, waste emission and health impact) data. Effective knowledge extraction from raw data has always been a very challenging task, especially the data needed for a type of study is huge. Other characteristics of process data such as noise, dynamics, and highly correlated process parameters make this more challenging.

In this study, we introduce an attention-based RNN for multi-step-ahead prediction that can have applications in model predictive control, fault diagnosis, …

Energy Conservation And Heat Transfer Enhancement For Mixed Convection On The Vertical Galvanizing Furnace, Dan Mei, Yuzheng Zhu, Xuemei Xu, Futang Xing

Mechanical & Aerospace Engineering Faculty Publications

The alloying temperature is an important parameter that affects the properties of galvanized products. The objective of this study is to explore the mechanism of conjugate mixed convection in the vertical galvanizing furnace and propose a novel energy conservation method to improve the soaking zone temperature based on the flow pattern and heat transfer characteristics. Herein, the present study applied the k-ε two-equation turbulence model to enclose the Navier-Stokes fluid dynamic and energy conservation equations, and the temperature distributions of the steel plate and air-flow field in the furnace were obtained for six Richardson numbers between 1.91 ⋅ 10^{5 …}

Mixing Optimization In Grooved Serpentine Microchannels, Tyler Rhoades, Chandrasekhar R. Kothapalli, Petru S. Fodor

Chemical & Biomedical Engineering Faculty Publications

© 2020 by the authors. Licensee MDPI, Basel, Switzerland. Computational fluid dynamics modeling at Reynolds numbers ranging from 10 to 100 was used to characterize the performance of a new type of micromixer employing a serpentine channel with a grooved surface. The new topology exploits the overlap between the typical Dean flows present in curved channels due to the centrifugal forces experienced by the fluids, and the helical flows induced by slanted groove-ridge patterns with respect to the direction of the flow. The resulting flows are complex, with multiple vortices and saddle points, leading to enhanced mixing across the section …

Role Of The Adhesion Torque On Spiky Particles Deposition, Kailian Davis

Summer Community of Scholars Posters (RCEU and HCR Combined Programs)

No abstract provided.

Evaluation Of Nox‑Reduction Measures For Iron-Ore Rotary Kilns, Rikard Ekland, Thomas Allguren, Christian Fredriksson, Denver Haycock, Colson Johnson, Jacob Fransen, Thomas H. Fletcher, Klas Andersson

Faculty Publications

The grate-kiln process is employed for sintering and oxidation of iron-ore pellets. In this process, a fuel (typically coal) is combusted with a large amount of excess air in a rotary kiln, and the high air-to-fuel ratio leads to significant NOx formation. The current Article is an assessment of NOx reduction measures that have been tested in pilot-scale and in full-scale by the Swedish iron-ore company Luossavaara-Kiirunavaara Aktiebolag (LKAB). The results show that the scaling between the full-scale kiln and the pilot-scale kiln is crucial, and several primary measures that reduce NOx significantly in pilot-scale achieve negligible reduction in full-scale. …

Selective Adsorption Of Rare Earth Ions From Aqueous Solution On Metal-Organic Framework Hkust-1, Liang Zhao, Xiaoguang Duan, Muhammad R. A. Azhar, Hongqi Sun, Xiangchen Fang, Shaobin Wang

Research outputs 2014 to 2021

Recovery of rare earth ions from wastewater holds an important strategy for the use of the precious resources. In this study, we found that a metal-organic framework (MOF), HKUST-1, exhibited a high affinity and selectivity towards adsorptive recovery of rare earth ions (Ce3+ and La3+) in aqueous solutions. The adsorbent showed a remarkable adsorption capacity of 234 mg/g and 203 mg/g for Ce3+ and La3+ at pH = 6, respectively. More importantly, its adsorption selectivity of the rare earth ions was about 87% against other metal ions. The adsorption isotherm, kinetics, and mechanism in the process were also investigated. The …

Two-Dimensional Nanomaterials And Their Composites For Electrochemical Detection Of Toxic Mercury Ions In Water, Md Tawabur Rahman

Electronic Theses and Dissertations

The presence of trace amounts of mercury ion (Hg²⁺) in drinking water has a detrimental effect on human health. The development of an electrochemical sensor for Hg²⁺ detection is still challenging to obtain ultra-trace sensitivity, excellent selectivity, wide Linear Detection Ranges (LDRs), and ultra-low detection limit. This work presents an electrochemical sensor based on two-dimensional nanomaterials and their composites for the enhanced sensing of Hg²⁺ in water. Graphene oxide (GO)-silver nanowires (AgNWs) composite and metallic 1T phase tungsten disulfide (WS2) microflowers were utilized for the fabrication of electrochemical sensors using drop-casting. Under the optimized experimental conditions, …

A Study On The Hydrodynamics Of A Bench-Scale Top-Fed Bubbling Fluidized Bed Gasifier Using Biomass And Coal As Feedstocks, Ali Can Sivri

Graduate Theses, Dissertations, and Problem Reports (ETD)

The production of synthetic gas (syngas) from renewable or carbon-neutral sources can significantly reduce greenhouse and other emissions associated with conventional fuels. One of the most promising technologies to efficiently convert carbonaceous feedstocks such as biomass, coal, or municipal waste into syngas for transportation, power, heat, electricity generation, and or production of added-value chemicals is the bubbling fluidized-bed gasifier (BFBG). However, the gasification process inside a BFBG is a very complex high-temperature multiphase flow phenomena still not well understood, particularly when binary mixtures are investigated. As a result, despite the numerous correlations in the literature developed to predict the hydrodynamics …

Process Modeling And Techno-Economic Analysis Of Thermo-Catalytic Dimethyl Ether Synthesis And Microwave-Based Aromatics Production Technologies From Shale Gas, Chirag Mevawala

Graduate Theses, Dissertations, and Problem Reports (ETD)

Production of dimethyl ether (DME) and direct non-oxidative methane dehydroaromatization (DHA) to aromatics via conventional and microwave (MW)-assisted processes are investigated in this research. Plant-wide models of the shale gas to DME process with integrated CO₂ capture via direct and indirect synthesis routes have been developed. Optimal parameter estimation, and model validation are undertaken for various sections of the process including the pre-reforming reactor, auto-thermal reforming reactor, DME synthesis reactors, CO₂ capture units and separation sections. A novel DME separation process has been developed for efficient separation of DME, syngas, and CO₂. Plant-wide techno-economic optimization is …

Next Generation Of Applications Of Metal-Organic Frameworks For Energy And Environmental Sustainability, Qian Liu

Graduate Theses, Dissertations, and Problem Reports (ETD)

My PhD work aimed at using Metal-organic frameworks (MOFs) for mitigating the environmental issues and energy crisis associated with anthropogenic activities. Specifically, we developed robust platforms and/ or systems using MOF as “scaffolds” to allow for model pollutant detection and CO₂ sequestration and benign transformation respectively.

First, I detailed how photocatalytic properties of 2,5-furandicarbocylic acid (FDCA) in its alone and its MOF- integrated form (MIL-160) were used for the first time for the reduction of Ag⁺ at room conditions. Such photocatalytic activities could then be used in user-designed hybrids (i.e., Ag/MIL-160) to form sensorial platforms for prevalent phenol …

Review Of Established And Emergent Methods For The Production Of C4 Olefins, James Matthew Koval

Graduate Theses, Dissertations, and Problem Reports (ETD)

Current production of C₄ olefins is dominated by naphtha cracking and butane dehydrogenation, but significant research interest is developing in alternate feedstocks due to an abundance of inexpensive natural gas and bioethanol. The current C₄ olefin production methods are costly, make use of already-depleted petroleum resources, and are often hazardous to workers, which forms the impetus for investigation into alternative methods and assessment of their viability as a future means of olefin production. Methods of natural gas conversion to higher order hydrocarbons are discussed, including Fischer-Tropsch synthesis and oxidative methane coupling, each of which could form the first …

Process Development Of Shale Gas Assisted Lignin And Biomass Reforming Through Novel Reaction Pathway And Catalyst Design To Produce Hydrogen Rich Syngas For Fuels And Value Added Chemicals, Amoolya D. Lalsare

Graduate Theses, Dissertations, and Problem Reports (ETD)

Novel biomass reforming strategy through synergistic co-processing with flare gas (methane and carbon dioxide) was developed at West Virginia University. Hardwood biomass comprised of lignin, hemicellulose, and cellulose is abundant in the US and potentially a sustainable source of hydrogen through extensive reforming and gasification. Ever-increasing shale gas production in the US occasionally leads to flaring owing to stranded production across the US. Achieving biomass co-processing with natural gas about to be flared in such stranded shale plays is the underlying motivation here. A novel reaction pathway was discovered wherein methane and carbon dioxide assisted reforming of biomass could be …

Dynamics And Phase Behavior Of Mixed Antibody-Excipient Adsorption At An Air/Water Interface, Ankit D. Kanthe

Dissertations and Theses

Monoclonal antibodies (mAbs) have become a leading candidate for oncological therapeutics due to their unparalleled selectivity. Monoclonal antibodies are amphiphilic, containing polar and nonpolar amino acid residues on their biomolecular surfaces. Their amphiphilic nature drives mAbs to strongly adsorb to air/water interfaces. Interfacial adsorption presents a central problem to the production and use of antibody-based pharmaceuticals. Air/water interfaces are frequently generated during the manufacture (filtration and chromatography) and production (freezing, thawing, filtration and filling) of the drug product. Moreover, air/water interfaces are present during the storage, transportation and administration of the therapeutics. When an air/water interface is created, the antibodies …

Motion Of Janus And Patchy Particles Near Various Boundaries, Zohreh Jalilvand

Dissertations and Theses

Colloidal particles with anisotropic surface properties are an emergent class of novel materials that have been indicated to possess a remarkable potential to still be fully exploited. Among anisotropic colloids, Janus and patchy particles with different compositions and functionalities recently have drawn significant attention in the field of colloid science. They are known as promising candidates to address challenges in various fields such as emulsion stabilization, oil recovery, drug delivery, biosensors and environmental remediation. A majority of the envisioned applications require Janus and patchy particles to operate near boundaries, i.e., a wall or a fluid/liquid interface, which significantly affect the …

Investigation Of Asphaltene Adsorption At Liquid-Liquid And Liquid-Solid Interfaces, Fang Liu

Dissertations and Theses

Asphaltenes, as indigenous components in crude oils, are believed to play an important role in the petroleum production and processing industry. For example, asphaltene molecules can adsorb onto the water / oil interface like the amphiphiles and hinder water droplet coalescence, resulting in the stabilization of water-in-oil emulsions. Also, in the upstream production, depending on the temperature and pressure, asphaltenes can precipitate and deposit onto the reservoir rocks, the wellbores and the pipelines, leading to the change in reservoir rocks’ surface wettability and the blockage of the production facilities. Hence, it is crucial to understand the mechanism of asphaltenes adsorption …

Capillary Forces And Wetting Dynamics By Diffuse-Interface Modeling, Fanny Thomas

Dissertations and Theses

Wetting phenomena underlie many natural and industrial processes, from the proper functioning of the lungs to the thin coating of surfaces. The three-phase interactions involved at microscopic scales play a critical role. Adding solid particles to an emulsion, for example, can drastically change the flow behavior due to capillary bridging between the particles. The study of these three-phase systems is especially relevant to the petroleum industry, where gas hydrates forming large clusters in subsea pipelines during crude oil transportation is a major concern. The dynamics of such systems is also of great interest from a fundamental perspective. Indeed describing non-equilibrium …

Synthesis Of Graphene Using Plasma Etching And Atmospheric Pressure Annealing: Process And Sensor Development, Andrew Robert Graves

Graduate Theses, Dissertations, and Problem Reports (ETD)

Having been theorized in 1947, it was not until 2004 that graphene was first isolated. In the years since its isolation, graphene has been the subject of intense, world-wide study due to its incredibly diverse array of useful properties. Even though many billions of dollars have been spent on its development, graphene has yet to break out of the laboratory and penetrate mainstream industrial applications markets. This is because graphene faces a ‘grand challenge.’ Simply put, there is currently no method of manufacturing high-quality graphene on the industrial scale. This grand challenge looms particularly large for electronic applications where the …

Time-Dependent Reliability Framework For Durability Design Of Frp Composites, Rajneesh Kumar Bharil

Graduate Theses, Dissertations, and Problem Reports (ETD)

The life-cycle performance, durability, and aging characteristics of Fiber Reinforced Polymer (FRP or Structural Composites) have been of keen interest to the engineers engaged in the FRP design, construction, and manufacturing. Unlike conventional construction materials such as steel and concrete, the design guidelines to account for the aging of FRP are somewhat scattered or not available in an approved or consistent format. Loss of strength over time or aging of any structural material should be of concern to engineers as the in-service lifespan of many engineering structures is expected to exceed 100 years. Use of durability strength-reduction factors or factors …