Chemical Engineering Commons^™

Exploring The Electrochemical Performance Of Calcium-Ion Batteries With Novel Cathodes And Electrolytes, Paul Alexis Chando

Dissertations - ALL

The development of electric vehicles and energy storage devices are part of larger international efforts to create a sustainable future. Lithium-ion batteries have become crucial components to powering these technologies. However, the growing dependence of this singular battery chemistry to power an ever expanding landscape of technologies raises sustainability issues around lithium. Exploration of alternate battery chemistries have become part of research efforts to meet global energy demands. Calcium has emerged as one such battery system that could help alleviate stresses placed on lithium with its energy density and cost. Battery chemistries are unique, and each battery possesses its own …

Characterizing Nonlinear Fluid Flow In 3d Printed Rock Fractures: Effects Of Roughness, Aperture, And Intersection Angles, Ghoulem Ifrene, Prasad Pothana, Sven Egenhoff, Nicholas Bittner, Kuldeep Singh

Petroleum Engineering Posters and Presentations

Understanding fluid flow behavior at fracture intersections is vital to geothermal energy extraction, underground water flow, and CO₂ storage. Here, laboratory experiments were performed to study the effect of surface roughness, intersection angles, and aperture on nonlinear flow behavior in simple fracture networks. A FormLabs (3B+) 3D printer was used to fabricate 8 samples of 38.1mm in diameter and 59.43mm or 54.9mm in length with 2 intersecting fractures of 10^o and 40^o respectively. The surface roughness of the fractures was based on laser profilometry measurements from two induced mode 1 rock fractures, with a joint roughness coefficient …

Reactive Capture And Conversion Of Co2 Into Hydrogen Over Bifunctional Structured Ce1-Xcoxnio3/Ca Perovskite-Type Oxide Monoliths, Khaled Baamran, Shane Lawson, Ali A. Rownaghi, Fateme Rezaei

Chemical and Biochemical Engineering Faculty Research & Creative Works

Carbon capture, utilization, and storage (CCUS) technologies are pivotal for transitioning to a net-zero economy by 2050. In particular, conversion of captured CO₂ to marketable chemicals and fuels appears to be a sustainable approach to not only curb greenhouse emissions but also transform wastes like CO₂ into useful products through storage of renewable energy in chemical bonds. Bifunctional materials (BFMs) composed of adsorbents and catalysts have shown promise in reactive capture and conversion of CO₂ at high temperatures. In this study, we extend the application of 3D printing technology to formulate a novel set of BFMs composed …

Efficient Discovery And Industrialized Manufacture Of Terpenoids, Haoming Chi, Liying Er, Tiangang Liu

Bulletin of Chinese Academy of Sciences (Chinese Version)

Terpenoids, a class of chemical entities with diverse biological activities in nature, demonstrate significant potential for applications in fields such as drug discovery, flavor industry, and agriculture. However, traditional methods face challenges, including inefficiency and high costs, in the discovery and industrialization of terpenoids. The rapid development of synthetic biology, genomics, artificial intelligence, and automation provides new opportunities for efficient terpenoid discovery and industrialization. This study comprehensively analyzes how these technologies synergistically contribute to the discovery, optimization, and large-scale production of terpenoids, and summarizes the current high-yield situations of terpenoids. The aim is to propose innovative strategies to accelerate technological …

Retraction Notice To “High Density Conductive Lifepo4 Cathode With Enhanced High-Rate And High Temperature Performance” [Mater. Chem. Phys. 232 (2019) 367–373, (S0254058419304110), (10.1016/J.Matchemphys.2019.05.014)], David Seung-Hyun Lee, Won Bin Im, Xinhua Liang

Chemical and Biochemical Engineering Faculty Research & Creative Works

This article has been retracted: please see Elsevier Policy on Article Withdrawal (https://www.elsevier.com/about/policies/article-withdrawal). This article has been retracted at the request of the Editor-in-Chief. The Editor-in-Chief found that the corresponding author of this article submitted the manuscript to the journal without the consent of the two individuals named as "co-authors", using invented email addresses to impersonate them. In addition, based on the raw materials presented to the journal by the second co-author and the Editor-in-Chief's own investigation, the Editor-in-Chief believes that some results in the paper are fabricated. Based on these two findings, the Editor-in-Chief has decided to retract the …

Physicochemical Characterization Of Metal Organic Framework Materials: A Mini Review, Hussein R. Abid, Muhammad R. Azhar, Stefan Iglauer, Zana H. Rada, Ahmed Al-Yaseri, Alireza Keshavarz

Research outputs 2022 to 2026

Metal-organic frameworks (MOFs) are promising materials offering exceptional performance across a myriad of applications, attributable to their remarkable physicochemical properties such as regular porosity, crystalline structure, and tailored functional groups. Despite their potential, there is a lack of dedicated reviews that focus on key physicochemical characterizations of MOFs for the beginners and new researchers in the field. This review is written based on our expertise in the synthesis and characterization of MOFs, specifically to provide a right direction for the researcher who is a beginner in this area. In this way, experimental errors can be reduced, and wastage of time …

Scaffold-Based 3d Cell Culture Models In Cancer Research, Waad H. Abuwatfa, William G. Pitt, Ghaleb A. Husseini

Faculty Publications

Three-dimensional (3D) cell cultures have emerged as valuable tools in cancer research, offering significant advantages over traditional two-dimensional (2D) cell culture systems. In 3D cell cultures, cancer cells are grown in an environment that more closely mimics the 3D architecture and complexity of in vivo tumors. This approach has revolutionized cancer research by providing a more accurate representation of the tumor microenvironment (TME) and enabling the study of tumor behavior and response to therapies in a more physiologically relevant context. One of the key benefits of 3D cell culture in cancer research is the ability to recapitulate the complex interactions …

Model Predictive Control Of A Lab-Scale Thermal Energy Storage System In Relap5-3d, Jaron Wallace, Daniel Hill, David Thurston, John Hedengren, Matthew Memmott

Faculty Publications

Increased renewable energy penetration of an electrical grid generally creates more supply fluctuations. Traditional base-load systems, such as nuclear power, can be retrofitted with thermal energy storage (TES) systems to meet supply demand fluctuations. These systems can store energy during low electricity demand times to allow the reactor to operate at constant power while simultaneously fluctuating electricity output. The control of these systems is of vital importance and Model Predictive Control (MPC) is a leading control mechanism for optimized production plans with forecast information. This study combines high fidelity RELAP5-3D models with MPC to control an experimental benchtop system that …

Grand Challenges In Membrane Transport, Modeling And Simulation, Jacob Monroe, Chidambaram Thamariselvan, Ranil Wickramasinghe

Chemical Engineering Faculty Publications and Presentations

Today, membranes play an increasing role in separation processes across a wide range of industries, including water treatment, biomedical applications, bioseparations, and gas separations (Yeom et al., 2022). Numerous different membrane types exist, which can be broadly categorized as either porous or non-porous, where pores may be or may not be filled with a separate phase from the bulk solvent and membrane phases. In addition, various driving forces exist - pressure, concentration, electric field, etc.—that lead to transport across the membrane. For a porous membrane, solute transport is usually governed by convective flow through the pores. Micron-sized pores are used …

Cancer Treatment By Targeting Hdac4 Translocation Induced By Microsecond Pulsed Electric Field Exposure: Mechanistic Insights Through Kinases And Phosphatases, Zahra Safaei

Theses and Dissertations

Epigenetic modifications, arising from sub-cellular shifts in histone deacetylase (HDAC) activity and localization, present promising strategies for diverse cancer treatments. HDACs, enzymes responsible for post-translational histone modifications, induce these epigenetic changes by removing acetyl groups from ε-N-acetyl-lysine residues on histones, thereby suppressing gene transcription. Within the HDAC group, class IIa HDACs are notable for their responsiveness to extracellular signals, bridging the gap between external stimuli, plasma membrane, and genome through nuclear-cytoplasmic translocation. This localization offers two significant mechanisms for cancer treatment: nuclear accumulation of HDACs represses oncogenic transcription factors, such as myocyte-specific enhancer factor 2C (MEF2C), triggering various cell death …

Development Of A Xenograft For Annular Repair Using Pulsed Electric Field Exposures For Enhanced Decellularization, Prince Mensah Kwaku Atsu

Theses and Dissertations

Severe back injuries and chronic pain necessitate surgical replacement of damaged intervertebral disc (IVD) cartilage in advanced disease stages. Bovine IVD tissue has been exposed to an upper threshold pulsed electric field (PEF) dose, causing cell death without thermal damage to the tissue. Subsequent PEF exposures at lower magnitudes have accelerated the removal of immunogenic biomolecules though electrokinetic extraction using optimized aqueous solutions. This approach yields a natural scaffold, ready for biocompatibility and mechanical strength assessment. The effects of microsecond pulsed electric fields (µsPEF) on primary bovine AF fibroblast-like cells have been characterized in vitro. PEFs of 10 and 100 …

Integrated Computer-Aided Design, Experimentation, And Optimization Approach For Perovskites And Petroleum Packaging Processes, Swapana Subbarao Jerpoth

Theses and Dissertations

According to the World Economic Forum report, the U.S. currently has an energy efficiency of just 30%, thus illustrating the potential scope and need for efficiency enhancement and waste minimization. In the U.S. energy sector, petroleum and solar energy are the two key pillars that have the potential to create research opportunities for transition to a cleaner, greener, and sustainable future. In this research endeavor, the focus is on two pivotal areas: (i) Computer-aided perovskite solar cell synthesis; and (ii) Optimization of flow processes through multiproduct petroleum pipelines. In the area of perovskite synthesis, the emphasis is on the enhancement …

One-Pot Assembly Of Drug-Eluting Silk Coatings With Applications For Nerve Regeneration, Tanner D. Fink, Jessica L. Funnell, Ryan J. Gilbert, R. Helen Zha

Chemical and Biochemical Engineering Faculty Research & Creative Works

Clinical use of polymeric scaffolds for tissue engineering often suffers from their inability to promote strong cellular interactions. Functionalization with biomolecules may improve outcomes; however, current functionalization approaches using covalent chemistry or physical adsorption can lead to loss of biomolecule bioactivity. Here, we demonstrate a novel bottom-up approach for enhancing the bioactivity of poly (l-lactic acid) electro spun scaffolds though interfacial coassembly of protein payloads with silk fibroin into nano thin coatings. In our approach, protein payloads are first added into an aqueous solution with Bombyx mori-derived silk fibroin. Phosphate anions are then added to trigger coassembly of the payload …

Process Optimization For Syngas Production From The Dry Reforming Of Methane Over 5ni+3sr/10zr+Al Catalyst Using Multiple Response Surface Methodology, Ahmed Al-Fatesh Dr., Mai H. Roushdy, Radwa El-Salamony Dr., Saba Alwan Dr., Ahmed Osman Dr., Sadeq Al-Faresh Dr., Hamid Ahmed Dr., Anis Fakeeha Dr., Ahmed Ibrahim Dr.

Chemical Engineering

5Ni+3Sr/10Zr+Al catalyst is synthesized using the impregnation method, characterized, and tested for dry reforming of methane. The influence of reaction temperature, feed ratio (CO2/CH4), and gas hour space velocity are examined using multiple response surface methodology through three factors in, a four-level central composite design. Second and higher-order regression models are applied to evaluate the interaction between the process parameters and responses. The results indicate that the reaction temperature is the most influential followed by the space velocity, while the feed ratio has a weak effect. The optimum values that maximize each of the response variables are found to be …

A Prediction Of Interfacial Tension By Using Molecular Dynamics Simulation: A Study On Effects Of Cushion Gas (Co2, N2 And Ch4) For Underground Hydrogen Storage, Quoc T. Doan, Alireza Keshavarz, Caetano R. Miranda, Peter Behrenbruch, Stefan Iglauer

Research outputs 2022 to 2026

Carbon Dioxide (CO2) emissions from fossil fuel consumption have caused global warming and remain challenging problems for mitigation. Underground Hydrogen Storage (UHS) provides clean fuel and replaces traditional fossil fuels to reduce emissions of CO2. Geological formations such as depleted oil/gas reservoirs, deep saline aquifers and shale formations have been recognized as potential targets to inject and store H2 into the subsurface formations for large-scale implementation of CCS and UHS. However, the presence of H2 with cushion gas at different fractions under different geo-storage conditions, which can influence Hydrogen's flow properties, was not investigated widely. Until now, studies of interfacial …

Evaluating Medium Decision Tree Model, Support Vector Machine Rational Quadratic Gaussian Process Regression To Estimate The Total Organic Carbon Of Shale Gas Reservoirs, Attia Attia, Sayed Gomaa, Mohamed Mongy Eng., Ramadan Emara Prof., Ashraf Fahmy Prof.

Petroleum Engineering and Gas

As a result of an energy crisis due to the Russian-Ukrainian war, the eyes of great countries such as America and others began to turn strongly towards exploiting unconventional resources to increase the oil and gas production. The first step in exploiting unconventional sources is to estimate the Total Organic Carbon (TOC). TOC measurements are expensive as well as time consuming, as samples of cuttings or core samples must be present to do the required lab tests. This issue encouraged the researchers to develop mathematical correlation to estimate the TOC. The paper aims at evaluating three of machine learning models …

Advances In Control Strategies For Cyberphysical Systems Incorporating Quantum Computing, High-Fidelity Simulation Methods, And Space Communication Concerns, Kip Nieman

Wayne State University Dissertations

Continuing advances and new applications in manufacturing and the systems engineering field lead to increased demands on controllers, models, simulation tools, and computer systems. Utilizing these new technologies can have profound consequences on control of the physical system itself, and the interactions between these aspects will need to be understood to ensure economic efficiency, safety, and secure operation. It is not always clear how implementing new technologies will impact the control of a process, especially when the modes of operation of the technology or the process itself are unusual or unknown. To address this, the work presented in this thesis …

Strain-Dependent Activity-Stability Relations In Ruo2 And Iro2 Oxygen Evolution Catalysts, Payal Chaudhary, Alexandra Zagalskaya, Herbert Over, Vitaly Alexandrov

Department of Chemical and Biomolecular Engineering: Faculty Publications

Strain engineering is an effective strategy in modulating activity of electrocatalysts, but the effect of strain on electrochemical stability of catalysts remains poorly understood. In this work, we combine ab initio thermodynamics and molecular dynamics simulations to examine the role of compressive and tensile strain in the interplay between activity and stability of metal oxides considering RuO₂ and IrO₂ as exemplary catalysts. We reveal that although compressive strain leads to improved activity via the adsorbate-evolving mechanism of the oxygen evolution reaction, even small strains should substantially destabilize these catalysts promoting dissolution of transition metals. In contrast, our results …

Engineering Applications Of Artificial Intelligence To Forecast Production Of Shale Wells, Yasir Jassim Alkalby

Graduate Theses, Dissertations, and Problem Reports (ETD)

This study examines the application of artificial intelligence (AI) and supervised machine learning techniques to forecast production from unconventional shale wells, utilizing actual field measurement data over a period of two years. Traditional methods, such as decline curve analysis, offer valuable insights but often fail to fully capture the complex nuances affecting productivity and tend to rely excessively on empirical equations.

In this research, the AI-based Shale Analytics approach, introduced by Mohaghegh in 2017, is employed. This method leverages Big Data Analytics to identify unique patterns from actual field observations, enhancing the evaluation and quantification of various productivity factors, facilitating …

Synthesis, Characterization, And Performance Assessment Of Reusable And Biodegradable Antimicrobial Polymeric Membranes For Aerosolized Pathogen Inactivation And Filtration, Ebuka Ogbuoji

Theses and Dissertations--Chemical and Materials Engineering

Air filtration technology has proven effective in purifying air by trapping particulates which can cause adverse health effects. High Efficiency Particulate Air (HEPA) filters, capable of capturing over 99.99% of PM_0.3, are recommended for critical applications. However, conventional non-woven HEPA filters rely on electrostatic interactions to trap smaller particles, which can deplete over time or after cleaning, reducing filtration efficiency and posing health risks. Additionally, these filters contribute to plastic waste.

This dissertation investigated the feasibility of using flat sheet polymeric membranes fabricated via nonsolvent-induced phase separation (NIPS) as reusable and biodegradable alternatives to commercially available non-biodegradable air …

Strategies To Mitigate Efflorescence In Walls Constructed Using Clays Bricks; A Review Article, Marwa Abdulkareem. Anber, Soran Abdulrahman Ahmad, Naros Rahman Mahmoud, Kawan Fuoad. Kayani, Mohammed Ali Abdulrehman

Al-Esraa University College Journal for Engineering Sciences

_{The construction of buildings, especially residential housing for communities, is a significant industry on a global scale. Masonry units such as bricks, blocks, and stones are often utilized materials. Bricks are highly regarded because to their widespread availability, cost-effectiveness, and excellent insulating capabilities. Nevertheless, the presence of efflorescence presents a difficulty in the construction of brick walls. Efflorescence refers to the process in which salts move to the outer layer of the brick, resulting in the formation of white deposits and negatively impacting its visual appeal. Efflorescence is caused by various circumstances, such as the existence of salts in bricks, …}

The Importance Of Cryptography In Cloud Computing, Saja Alaam Talib

Al-Esraa University College Journal for Engineering Sciences

Cloud computing has grown as a widely accepted concept simultaneously, as the alarms for the security of data and information. This paper seeks to establish the comprehensive roles of cryptography in tackling these issues in the Cloud environment. The study begins with the historical background of cryptography and then moves on to analyze trends in information technology before discussing on the challenges to security in cloud computing. The goal of its publication is to highlight the importance of using cryptographic technologies for the protection of information confidentiality, its integrity and compliance. The combination of literature review and the case study …

Pit Design And Mine Planning Of Nong Wa Sub-Basin, Sin Pun Coal Deposit, Southern Thailand, Gbenga Timilehin Adewumi

Chulalongkorn University Theses and Dissertations (Chula ETD)

Nong Wa is a sub-basin located within the Sin Pun coal deposit, which has no history of mining activities. This study focused on the planning and design of the sub-basin pit, potentially paving the way for future mining operations in the region. The objective of the research was to evaluate the economic viability of coal extraction and to develop an optimized pit to maximize resource recovery. To achieve this objective, a coal seam model of the deposit was created using advanced modeling software such as AutoCAD and MineSight. The seam model was used to design the ultimate pit, pushback, and …

Developing Machine Learning And Time-Series Analysis Methods With Applications In Diverse Fields, Muhammed Aljifri

Theses and Dissertations

This dissertation introduces methodologies that combine machine learning models with time-series analysis to tackle data analysis challenges in varied fields. The first study enhances the traditional cumulative sum control charts with machine learning models to leverage their predictive power for better detection of process shifts, applying this advanced control chart to monitor hospital readmission rates. The second project develops multi-layer models for predicting chemical concentrations from ultraviolet-visible spectroscopy data, specifically addressing the challenge of analyzing chemicals with a wide range of concentrations. The third study presents a new method for detecting multiple changepoints in autocorrelated ordinal time series, using the …

Design And Implementation Of Portable Power And Desalination Units Powered By Renewable Energy, Mo'ath A. Massad

Mechanical Engineering Theses

Freshwater scarcity is a critical global issue, especially in remote areas or areas impacted by natural disasters. Water desalination is one of the most effective methods to provide fresh water where it is needed. However, large-scale desalination plants cannot provide fresh water in the case of a natural disaster far from the plant's location. To address this, portable desalination units powered by renewable energy sources can be developed to supply potable water and power as a by-product for emergency situations. This work explored the application of different desalination methods, including reverse osmosis (RO) and electrodialysis (ED), in conjunction with renewable …

Process Simulation For Converting Co2 Emissions From The Cementindustry To Dimethyl Ether, Nour Abou Seada, Dina Aboelela

Biochemical Engineering

Climate change is the leading severe problem in the twenty-first century, which is associated with greenhouse gas emissions,carbon dioxide that is the foremost cause of global warming and super greenhouse effect. In this concern, to avoid hazardousproblems, the steady stream of CO2 effluents existing in the atmosphere must be transformed to beneficial products for beingused as an abundant chemical feedstock. Implementing a new green strategy, which is known for the catalytic hydrogenationof CO2 into alternative fuels and valuable chemicals, will be a long-lasting solution to alleviate CO2 emissions. In this paper,a process simulation showing the synthesis of dimethyl ether (DME) …

Polylactic Acid-Carbon Quantum Dots Composite (Pla/Cqds) For 3d-Printing Filament: Thermal, Mechanical, Morphological, And Electrical Properties, Saran Inthirach

Chulalongkorn University Theses and Dissertations (Chula ETD)

This study investigates polylactic acid carbon quantum dots composite (PLA/CQDs) for 3D-printing filament. composites were prepared by extrusion technique to ensure homogeneous dispersion of CQDs within the PLA matrix with various CQDs loadings (0.25 to 5 wt.%), Thermal analysis showed that 3 wt.% CQDs increased decomposition temperature from 369 °C to 382 °C and raised residual mass, indicating better heat resistance. Mechanical analysis revealed that 1 wt.% CQDs significantly improved tensile strength and 3 wt.% CQDs increased Young’s modulus, though elongation at break fell at 5 wt.% due to CQD aggregation. SEM-EDX confirmed smooth, well dispersed CQDs at low loadings, …

Mg And Ce Doping On Cu/Zno/Al2o3 Catalysts For Methanol Synthesis From Ethanol-Assisted Carbon Dioxide Hydrogenation In Fixed-Bed Reactor, Panisara Kampaeng

Chulalongkorn University Theses and Dissertations (Chula ETD)

Currently, the world is facing the problem of global warming causing by excessive carbon dioxide (CO2). According to the WMO report, the global surface temperature is expected to increase if no serious mitigation strategies are implemented. Carbon capture utilization (CCU) of a low value greenhouse gas into high-value chemicals is an approach to reduce emissions and valuable chemical production. Among the various CO2 conversion technologies, thermo-catalytic reaction using hydrogen is the most suitable for industrial applications. Methanol is used as a fuel, solvent, and raw material for high value chemicals. Conventional methanol synthesis has thermodynamic limitations, as the reaction is …

Simulation On Acid Gas Removal From Natural Gas Processing With Membrane And Absorption Process, Ratikorn Sornumpol

Chulalongkorn University Theses and Dissertations (Chula ETD)

The comparison using simulations of CO₂ removal from natural gas via membrane separation and monoethanolamine (MEA) absorption has been studied. The membrane model is applied with the single- and two-stage configurations over feed pressures 3,000–9,000 kPa, temperatures 10–59 °C, CO₂ concentrations 20–70 mol %, membrane areas 2,500–5,500 m², and flows 331,800–580,600 m³/h. At 10 °C feed temperature, CO₂ permeability is enhanced while CH₄ selectivity improves slightly, increasing CO₂ capture efficiency up to 74 % with only minor methane losses, though at the cost of higher refrigeration duty. The 10 °C operation also leads to stronger driving force across the membrane, …

A Concept Of Producing Aluminum In-Situ On The Moon Through Molten Salt Electrolysis, Jacob N. Ortega, Jeffrey Smith, Fateme Rezaei, David Bayless, William Schonberg, Daniel Stutts, Daoru Han

Materials Science and Engineering Faculty Research & Creative Works

This paper presents a concept of producing aluminum in-situ on the lunar surface, namely, the Lunar In-Situ Aluminum Production through Molten Salt Electrolysis (LISAP-MSE) method developed at Missouri University of Science and Technology. This paper aims to demonstrate the use of electro-deoxidation to reduce aluminum oxide (i.e., alumina) into aluminum and oxygen gas via electrolysis in a molten salt bath for the production of aluminum on the Moon. It is shown that with a steady supply of hydrogen chloride, this in-situ resource utilization (ISRU) method could supply several necessary materials consumed in the electro-deoxidation process except hydrogen chloride to produce …