Chemical Engineering Commons^™

More On The Demons Of Thermodynamics, Daniel P. Sheehan, Garret Moddel, James W. Lee

Chemistry & Biochemistry Faculty Publications

No abstract provided.

Phosphorus Release And Recovery From Simulated Ferric Wastewater Sludge, Aseel Alnimer

Theses and Dissertations (Comprehensive)

Phosphorus (P) is a fundamental element necessary for all life forms and a key component in the fertilizer industry. Meanwhile, the excessive load of P to water bodies due to human activities has the potential to promote eutrophication. Wastewater treatment plants remove P either biologically or chemically and produce P rich sludge which could be a potential renewable source for P. At present, commercial technologies exist for P recovery from biological wastewater sludge. However, P recovery from chemical sludge particularly iron(III)-phosphate (Fe-P) sludge generated in chemical P removal plants that use iron(III) salts remains a challenge.

This study explored, in …

Ambient Ammonia Synthesis Via Microwave-Catalytic Materials And Plasma Chemistry, Siobhan Brown

Graduate Theses, Dissertations, and Problem Reports (ETD)

Ammonia is critical to supporting human life on earth because of its use as fertilizer. The Haber-Bosch process to produce ammonia has been practiced for over 100 years. This process operates at high pressure and temperature to overcome the thermodynamic and kinetic limitations of the ammonia synthesis reaction thus researchers have tried to overcome it for decades. At present this process represents 1% of global energy usage and 2.5% of global CO₂ emissions. The proposed chemical looping ammonia synthesis approach seeks to reduce the environmental impact of this critical process and to elucidate microwave-catalytic principles.

This research aims to …

Computational Investigation Of A Series Of Small Molecules As Potential Compounds For Lysyl Hydroxylase-2 (Lh2) Inhibition, Yazdan Maghsoud, Erik Antonio Vázquez-Montelongo, Xudong Yang, Chengwen Liu, Zhifeng Jing, Juhoon Lee, Matthew Harger, Ally K. Smith, Miguel Espinoza, Hou-Fu Guo, Jonathan M. Kurie, Kevin N. Dalby, Pengyu Ren, G. Andrés Cisneros

Markey Cancer Center Faculty Publications

The catalytic function of lysyl hydroxylase-2 (LH2), a member of the Fe(II)/αKG-dependent oxygenase superfamily, is to catalyze the hydroxylation of lysine to hydroxylysine in collagen, resulting in stable hydroxylysine aldehyde-derived collagen cross- links (HLCCs). Reports show that high amounts of LH2 lead to the accumulation of HLCCs, causing fibrosis and specific types of cancer metastasis. Some members of the Fe(II)/αKG-dependent family have also been reported to have intramolecular O2 tunnels, which aid in transporting one of the required cosubstrates into the active site. While LH2 can be a promising target to combat these diseases, efficacious inhibitors are still lacking. We …

Molecular Elucidation Of Reaction Mechanisms In Aluminum & Lithium Metal Batteries By Solid-State Nmr Spectroscopy And Electrochemical Methods, Leo W. Gordon

Dissertations and Theses

As society wrestles with the ever-growing climate consequences of burning fossil fuels, the increased demand for electric vehicles and renewable power generation mandates safe, sustainable, earth-abundant, low cost, and energy dense batteries. Different use cases will necessitate different types of batteries; for example, stationary storage systems prioritize minimal expense, whereas mobile applications like electric vehicles emphasize high energy densities. Aluminum and lithium metal batteries hold great promise for next-generation energy storage due to their large specific capacities (2980 mA h g^-1, and 3860 mA h g^-1, respectively). In particular, aluminum metal is low cost, has high …

Transport And Plugging Performance Evaluation Of A Novel Re-Crosslinkable Microgel Used For Conformance Control In Mature Oilfields With Super-Permeable Channels, Adel Alotibi, T. Song, Baojun Bai, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Preformed particle gels (PPG) have been widely applied in oilfields to control excessive water production. However, PPG has limited success in treating opening features because the particles can be flushed readily during post-water flooding. We have developed a novel micro-sized Re-crosslinkable PPG (micro-RPPG) to solve the problem. The microgel can re-crosslink to form a bulk gel, avoiding being washed out easily. This paper evaluates the novel microgels' transport and plugging performance through super-permeable channels. Micro-RPPG was synthesized and evaluated for this study. Its storage moduli after fully swelling are approximately 82 Pa. The microgel characterization, self-healing process, transportation behavior, and …

Mechanical And Adhesive Properties Of Supramolecular, Mussel-Inspired Hydrogels, Daniel Darby

Theses and Dissertations--Chemical and Materials Engineering

The exceptional mechanical and adhesive properties of mussel byssal threads come from supramolecular interactions of ligands found in the proteins comprising them. Ligands can form hydrophobic interactions, π-π stacking interactions, and hydrogen bonds, but the strongest supramolecular interaction they demonstrate is metal-ligand coordination. Specifically, Histidine (His-) and nitrodopamine (nDOPA) ligands coordinate to metals in a bidentate fashion and take on tris-, bis-, and mono- modalities (3, 2, or 1 ligand per ion, respectively). The distribution of these modalities is controlled by equilibrium thermodynamics. These same ligands can be used as crosslinks in supramolecular hydrogel networks. Supramolecular hydrogel networks are dissipative, …

Molecular Understanding Of Zwitterions And Quantum Computing For Sustainability, Manh Tien Nguyen

Theses and Dissertations--Chemical and Materials Engineering

The sustainable development of society needs sustainable energy solutions and the mitigation of greenhouse gas emissions. One key subject in this area is the development of safe and efficient ion-based batteries. Moreover, CO₂ capture is a crucial pathway in mitigating emissions from the combustion of fossil fuels. Ongoing efforts are to improve both technologies' safety and efficiency. This thesis presents our efforts to conduct computational research on understanding advanced zwitterionic electrolytes and CO₂ capture. Chapters 2-4 illustrate the computational research to understand ionic solvation in zwitterionic electrolytes. Solid-state electrolytes are essential for safer batteries. While solid polymer electrolytes …

Coating Compositions And Methods For Using The Same, Fateme Rezaei, Thomas P. Schuman, Glenn C. Morrison

Patents

Coating compositions and methods for using the same are disclosed. The coating compositions can include an aminosilica adsorbent. The coating compositions can adsorb CO2.

Comprehensive Evaluation Of A Novel Re-Crosslinkable Preformed Particle Gel For The Water Management Of Reservoir With Concentrated Divalent Ions, Tao Song, Mohamed Ahdaya, Zhanmiao Zhai, Thomas P. Schuman, Baojun Bai

Chemistry Faculty Research & Creative Works

As one of the most widely used technology to ameliorate the reservoir's heterogeneity, polymer gels have been applied for more than 60 years. However, how to plug fractured reservoirs with significant abnormal features, high temperature and high salinity, especially the divalent cations, is still a challenging target. This work systematically evaluated a novel salt-resistant re-crosslinkable preformed particle gel (SR-RPPG) designed for fractured reservoirs with excellent salt resistance (up to 5 % CaCl₂). We evaluated the swelling kinetics, thermal stability and plugging efficiency of this SR-RPPG. We assessed the swelling kinetic and re-crosslinking behavior of the SR-RPPG through the …

Re-Assembling Polymer Particle Package For Conformance Control And Fluid Loss Control, Jingyang Pu, Baojun Bai, Thomas P. Schuman

Patents

This invention is broadly concerned with compositions and processes for oilfield applications. More specifically, this invention relates to novel polymer constructed packages that, when pumped into a petroleum well, provide tunable characteristics of transformation and delayed self-assembly with each other under reservoir conditions to yield strong, elastic, bulk gel materials. The compositions comprise a polymer, assembling agents, and optional additives used for the re-assembly stage are uniformly-distributed within the initial gel particles. The polymer particle packages absorb water and swell upon exposure to water, thus exposing the "assembling agents" that enable re-assembly. Both swelling and re-assembly are proportionally controlled via …

Investigation Of Additives And Ingredients Of Bio-Resin For Visible Wavelength Laser-Induced Polymerization, Patrick Riggs

College of Graduate Studies: Theses & Dissertations

Optical 3D printing is a branch of Additive manufacturing (AM) that utilizes low-waste production leading to efficient and rapid prototyping. Currently, this method of AM is associated with mainly petroleum-based resins. Bio-resin polymerization is an emerging research area for finding replacements for petroleum-based resins, but curing the resin with laser energy is not normally a practical use case. Current optical 3D printing uses lasers to cure liquid resins to form solid 3D objects in a layer-by-layer process which is time consuming, defect prone, and a leading limiting factor for high volume production; so, finding a way to incorporate bio-resin into …

Chemical Decomposition Of Flexible Polyurethane Foam To Generate A Media For Microbial Upcycling, Kaushik Baruah

Dissertations, Master's Theses and Master's Reports

Polyurethane waste is becoming a global concern as a large amount is being disposed of in landfills every year, and only a fraction is being recycled. Several polyurethane recycling techniques exist, of which ammonolysis and base-catalyzed hydrolysis is the least explored. Flexible polyurethane foam (FPUF) decomposition can generate amines that can act as a carbon source for the growth of microbial consortia. This study aims to generate a novel media capable of microbial upcycling via ammonolysis and base-catalyzed hydrolysis of flexible polyurethane foams (FPUFs) using ammonium hydroxide and subsequently determine the reaction conditions for maximum solubilization of polyurethane foam in …

Methyl Isobutyrate Production Via Hydrogenation Of Methyl Methacrylate Derived From Pyrolysis Of Acrylic Plastic Waste, Ramzi Nasser Ahmed Saif

Chulalongkorn University Theses and Dissertations (Chula ETD)

According to zero waste and upcycling policy, this work aims to utilize waste polymethyl methacrylate (PMMA) to methyl isobutyrate (MIB) via hydrogenation over nickel (Ni) based catalysts supported on commercial zeolites: HY, H-Beta-27 (SiO2/Al2O3 = 27 by mole), H-Beta-40 (SiO2/Al2O3 = 40 by mole) and H-ZSM-5. The appropriate catalyst support was first screen by using MMA monomer as the substrate for hydrogenation. Under 30 bar initial H2 pressure (PH2) at 250 °C for 3 h, Ni/H-Beta-27 catalyst effectively promoted hydrogenation to achieve 85% MMA conversion with 56.2 wt% MIB yield because of its larger external surface area and pore size. …

Polymeric Nitrogen: Computational Catalysis And Materials Design, Safa Alzaim

Dissertations

The urgent climactic crisis currently endangering all life on earth is largely due to the combustion of fossil fuels as an energy source. This work combines physics, chemistry, mathematics and computer science to develop new ways to harvest, store and use sustainable energy. In particular, this work centers on polymeric nitrogen (PN). PN is highly desirable because the energy density is extremely high. This energy density lends PN to applications such as rocket fuel and energetic materials. Recently, the polymeric phase N₈ was shown to be highly active for oxygen reduction reactions (ORR); the material is an excellent electrocatalyst …

Water-Soluble Saponins Accumulate In Drought-Stressed Switchgrass And May Inhibit Yeast Growth During Bioethanol Production, Sarvada Hemant Chipkar, Katherine Smith, Elizabeth M. Whelan, Derek J. Debrauske, Annie Jen, Katherine A. Overmyer, Andrea Senyk, Larkin Hooker-Moericke, Marissa Gallmeyer, Joshua J. Coon, A. Daniel Jones, Trey K. Sato, Rebecca G. Ong

Michigan Tech Publications, Part 1

Background: Developing economically viable pathways to produce renewable energy has become an important research theme in recent years. Lignocellulosic biomass is a promising feedstock that can be converted into second-generation biofuels and bioproducts. Global warming has adversely affected climate change causing many environmental changes that have impacted earth surface temperature and rainfall patterns. Recent research has shown that environmental growth conditions altered the composition of drought-stressed switchgrass and directly influenced the extent of biomass conversion to fuels by completely inhibiting yeast growth during fermentation. Our goal in this project was to find a way to overcome the microbial inhibition and …

Elucidation Of Active Site And Mechanism Of Metal Catalysts Supported In Nu-1000, Hafeera Shabbir

All Dissertations

Advances in extraction of shale oil and gas has increased the production of geographically stranded natural gas (primarily consisting of methane (C1) and ethane (C2)) that is burned on site. A potential utilization strategy for shale gas is to convert it into fuel range hydrocarbons by catalytic dehydrogenation followed by oligomerization by direct efficient catalysts. This work focuses on understanding metal cation catalysts supported on metal-organic framework (MOF) NU-1000 that will actively and selectively do this transformation under mild reaction conditions, while remaining stable to deactivation (via metal agglomeration or sintering). I built computational models validated by experimental methods to …

Investigations Of Prokaryotic Defense Systems, Hannah Domgaard

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Bacteria are constantly threatened with infection by mobile genetic elements (MGE) such as bacteriophage and plasmids. Bacteriophage and plasmids require the bacteria's cellular infrastructure to replicate their genomes. Rampant replication can lead to cell death which is one reason why bacteria have developed a diverse array of immune systems to prevent or limit infection. This thesis studies three types of bacterial immune systems, type IV-A CRISPR-Cas (Clustered Regularly Interspaced Short Palindromic Repeat –CRISPR associated), type V-A2 CRISPR-Cas systems, and Wadjet systems.

The type IV-A system lies adjacent to a dinG-like helicase gene. Research has shown that this system can target …

Surface-Driven Instabilities At Oil-Water Interfaces, Anelisse Claros Mendieta

Graduate Theses and Dissertations

Fluid-fluid interactions are such a wide area and can be observed in different scenarios such as geothermal systems, waterflooding of reservoirs, oil recovery, and water treatment processes. This thesis aims to deepen the understanding of fluid-fluid interactions which include Marangoni flows, charge related instabilities, and surface activity. This thesis studied the interactions of micrometer-sized droplets of an oil (toluene) with surfactant Di-(2-ethylhexyl) phosphoric acid (DEHPA) in the aqueous phase. One of the main goals is to understand several surface-driven instabilities and how those can be manipulated for future applications.Furthermore, this thesis aims to use these oil-surfactant droplets as a medium …

Insight Into The Effects Of Cation Disorder And Surface Chemical Residues On The Initial Coulombic Efficiency Of Layered Oxide Cathode, Jin-Li Liu, Han-Feng Wu, Zhi-Bei Liu, Ying-Qiang Wu, Li Wang, Feng-Li Bei, Xiang-Ming He

Journal of Electrochemistry

Lithium layered oxide LiNi_0.6Co_0.2Mn_0.2O₂ (NCM622) is one of the most promising cathode materials in high-energy lithium-ion batteries for electric vehicles. However, one drawback for NCM622 is that its initial coulombic efficiency (ICE) is only about 87%, which is at least 6% lower than that of LiCoO₂ or LiFePO₄. In this work, we investigated the effects of surface chemical residues (e.g., LiOH and Li₂CO₃) and Li/Ni cation disorder resulted during the sintering on the ICE. We found that the ICE of the as-prepared samples could be boosted …

Exploring The Biomedical Applications Of Polyurethane-Based Foams, Films, And Hydrogels, Anand Utpal Vakil

Dissertations - ALL

Shape memory polymers (SMPs) are a class of smart materials that can be temporarily stored in a deformed shape and can actively recover their original shape upon exposure to an external stimulus, such as heat, magnetic field, moisture, pH, light, or electric field. The ability of SMPs to change shape when required can be used for a wide range of applications, especially in the case of minimally invasive biomedical applications. In this work, polyurethane-based SMPs were explored for their use in tissue engineering, drug delivery, and wound healing applications.

In the second chapter, low density porous foams with tunable degradability …

Synthesis And Characterization Of Nanocomposites For Environmental Remediation, Nethaji S

Technical Collection

My current work deals with the preparation and characterization of nanocomposites for effluent treatment applications. The expertise lies on the preparation of carbonaceous nanocomposites including graphitic materials. The prepared materials are characterized thoroughly by different methods like FE-SEM, TEM, FT-IR, XRD, VSM, surface area and porosity. The composite materials are used for the removal of conventional and emerging contaminants like antibiotics, pesticide residues, endocrine disruptors etc. In addition to the batch studies, fabrication of microcolumns to aid the scale-up of the process is also carried out. I have published 14 research publications with around 1000 citations and h-index of 11. …

Electrochemical Syntheses Of Nanomaterials And Small Molecules For Electrolytic Hydrogen Production, Jia-Qi Wei, Xiao-Dong Chen, Shu-Zhou Li

Journal of Electrochemistry

Hydrogen is a clean, efficient, renewable energy resource and the most promising alternative to fossil fuels for future carbon-neutral energy supply. Therefore, sustainable hydrogen production is highly attractive and urgently demanded, especially via water electrolysis that has clean, abundant precursors and zero emission. However, current water electrolysis is hindered by the sluggish kinetics and low cost/energy efficiency of both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). In this regard, electrochemical synthesis offers prospects to raise the efficiency and benefit of water electrolysis by fabricating advanced electrocatalysts and providing more efficient/value-adding co-electrolysis alternatives. It is an eco-friendly and facile …

Catalytic Effect Of Disordered Ru-O Configurations For Electrochemical Hydrogen Evolution, Xue Sun, Ya-Jie Song, Ren-Long Li, Jia-Jun Wang

Journal of Electrochemistry

Phase engineering is considered as an effective method for modulating the electronic structure and catalytic activity of catalysts. The disordered conformation of amorphous materials allows flexible reforming of the surface electronic structure, showing their attractiveness as catalysts for hydrogen evolution reaction (HER). Herein, we designed and developed an amorphous ruthenium dioxide (a-RuO₂) catalyst with a disordered Ru-O configuration. The conformational relationship between Ru-O ordering and HER performance is established by combining advanced electron microscopic techniques with detailed electrochemical tests. Specifically, the disordered Ru-O coordination significantly enhanced the HER catalytic activity in both acidic and alkaline media, ultimately leading …

Alkaline Water Electrolysis For Efficient Hydrogen Production, Wen-Fu Xie, Ming-Fei Shao

Journal of Electrochemistry

Hydrogen production from water electrolysis is a sustainable and environmentally benign strategy in comparison with fossil fuel-based hydrogen. However, this promising technique suffers from the high energy consumption and unsatisfactory cost due to the sluggish kinetics of both half reaction and inferior stability of electrocatalysts. To address this challenge, herein, we present a timely and comprehensive review on advances in alkaline water electrolysis that is already commercialized for large scale hydrogen production. The design principles and strategies with aiming to promote the performance of hydrogen generation are discussed from the view of electrocatalyst, electrode, reaction and system. The challenges and …

Alkaline Seawater Electrolysis At Industrial Level:Recent Progress And Perspective, Tao Zhang, Yi-Pu Liu, Qi-Tong Ye, Hong-Jin Fan

Journal of Electrochemistry

Industrial hydrogen generation through water splitting, powered by renewable energy such as solar, wind and marine, paves a potential way for energy and environment sustainability. However, state-of-the-art electrolysis using high purity water as hydrogen source at an industrial level would bring about crisis of freshwater resource. Seawater splitting provides a practical path to solve potable water shortage, but still faces great challenges for large-scale industrial operation. Here we summarize recent developments in seawater splitting, covering general mechanisms, design criteria for electrodes, and industrial electrolyzer for direct seawater splitting. Multi-objective optimization methods to address the key challenges of active sites, reaction …

A Self-Supported Ru-Cu3P Catalyst Toward Alkaline Hydrogen Evolution, Zi-Xuan Wan, Chao-Hui Wang, Xiong-Wu Kang

Journal of Electrochemistry

Transition metal phosphide (TMP) is a kind of effective catalysts toward hydrogen evolution reaction (HER) in alkaline electrolytes. However, the performance of TMP catalysts is strongly limited by water splitting. In this work, we developed a method to prepare a copper foam (CF) supported Ru-doped Cu₃P catalyst (Ru-Cu₃P/CF) by a consecutive growth of Cu(OH)₂ nanoarrays, soaking in RuCl₃ solution and phosphorization. A large surface area was obtained by the self-supported catalysts with the appropriative Ru doping. As an excellent HER catalyst, it exhibited a low overpotential of 95.6 mV at a current density of …

Estimation Of The Bubble Point Pressure Of Multicomponent Reservoir Hydrocarbon Fluids, Benjamin Sunday Usen, Chidi Obi

Makara Journal of Science

This study developed a novel C-sharp (C#) programming language for the estimation of bubble point pressure (BPP) of various hydrocarbon mixtures at equilibrium state. The methodology was based on vapor–liquid equilibrium calculation using Peng Robinson equation of state implementation, thermodynamic equilibrium calculation and Newton-Raphson’s method for the successive substitution of the unknown variables. The equal fugacity constraint can be satisfied by obtaining the equilibrium which serves as a criterion for two or more phases to exist at equilibrium. The problem was resolved by searching for a pressure that will satisfy the two constraints. Complex calculation was performed by successively substituting …

Preface To Special Issue On Water Electrolysis For Hydrogen Production, Li Li, Jin-Song Hu, Zi-Dong Wei

Journal of Electrochemistry

No abstract provided.

Perovskite-Type Water Oxidation Electrocatalysts, Xiao Liang, Ke-Xin Zhang, Yu-Cheng Shen, Ke Sun, Lei Shi, Hui Chen, Ke-Yan Zheng, Xiao-Xin Zou

Journal of Electrochemistry

The development of energy conversion/storage technologies can achieve the reliable and stable renewable energy supply, and bring us a sustainable future. As the core half-reaction of many energy-related systems, water oxidation is the bottleneck due to its sluggish kinetics of the four-concerted proton-electron transfer (CPET) process. This necessitates the exploitation of low cost, highly active and stable water oxidation electrocatalysts. Perovskite-type oxides possess diverse crystal structures, flexible compositions and unique electronic properties, enabling them ideal material platform for the optimization of catalytic performance. In this review, we provide a comprehensive summary for the crystal structures, electronic structures and synthetic methods …