Chemical Engineering Commons^™

Thermal Fatigue Failure Mechanisms And Enhancement Strategies Of Die Steel, Chuan De Li, Hong Yu Yang, Bai Xin Dong, De Li Chen, Shi Li Shu, Feng Qiu, Qi Chuan Jiang, Lai Chang Zhang

Research outputs 2022 to 2026

Thermal fatigue failure is the core issue that restricts the development of die-casting technology, and it directly impacts the lifespan of the dies and the resulting economic benefits. This article reviews the fundamental mechanisms of thermal fatigue failure of die steels, classifies the potential failure mechanisms and discusses them in detail. This article examines the pivotal factors that affect the thermal fatigue resistance of die steels from four perspectives: alloying elements, processing techniques, microstructure, and inherent properties. On this basis, this article summarizes the advantages and disadvantages of various methods to enhance thermal fatigue resistance, such as alloying element optimization, …

Predicting Groundwater Withdrawals Using Machine Learning With Limited Metering Data: Assessment Of Training Data Requirements, Dawit Asfaw, Ryan G. Smith, Sayantan Majumdar, Katherine Grote, Bin Fang, B. B. Wilson, V. Lakshmi, J. J. Butler

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

The future of major aquifer systems supporting irrigated agriculture is threatened due to unsustainable groundwater pumping. Metering of pumping is key for implementing robust groundwater management, but metering is limited in most aquifers. Although machine learning methods have been used to estimate pumping over certain regions, these studies have not fully demonstrated the data quantity and input parameter requirements to accurately estimate regional groundwater pumping. This study determined the data quantity required and identified relevant features to develop Random Forests-based annual groundwater pumping estimates (2008–2020) over the Kansas High Plains aquifer. We predicted pumping at two spatial scales, i.e., point …

Systematic Hazard Analysis Of Flare System Nodes In Chemical Process Safety, Hayder A. Alhameedi, Athmar A. Alzubaidi, Joseph D. Smith, Doug Allen, Saud Aldawood, Paul Ani

Chemical and Biochemical Engineering Faculty Research & Creative Works

Multidimensional consequences may arise from an accident in the flare system of any chemical or petrochemical plant due to the improperly managed flare system, which can lead to the presence of the toxic and flammable gases. The Hazard and Operability Study (HAZOP) is a systematic method used to assess and identify risks that can occur during operation, ensuring risk reduction and the safety of using equipment or units. This study aims to apply the HAZOP technique to identify the hazards associated with the gas flaring process in an air-assisted flare. The air-assisted flare system was subdivided into four sections (nodes), …

Effect Of Short-Chain Polymer Binders On The Mechanical And Electrochemical Performance Of Silicon Anodes, Fei Sun, L. Zurita-Garcia, Dean R. Wheeler

Faculty Publications

Polymer binders are crucial components in providing both mechanical support and chemical stability to the structure of porous Li-ion electrodes. Particularly in silicon anodes, the active material undergoes substantial volume expansion of up to 275%. Due to the mechanical constraint of the current collector, these silicon materials tend to expand in the normal direction while exhibiting substantial particle rearrangement and plastic deformation. Conventional rigid binders such as polyacrylic acid (PAA) and polyimide (PI), while providing satisfactory initial capacity, do not eliminate diminished long-term performance. Our research attempts to develop binder formulations that can accommodate sufficient flexibility for the substantial volume …

Superhydrophilic Porous Coooh Nano-Architecture With Abundant Oxygen Vacancies For Enhanced Urea Electrooxidation At Ampere-Level Current Densities, Wen-Jing Lv, Xiao-Man Tang, Xue-Tong Wang, Wen-Cai Liu, Jian-Wen Zhu, Guo-Jing Wang, Yuan-Zhi Zhu

Journal of Electrochemistry

The conversion of urea-containing wastewater into clean hydrogen energy has gained increasing attention. However, challenges remain, particularly with sluggish catalytic kinetics and limited long-term stability of urea oxidation reaction (UOR). Herein, we report the loosely porous CoOOH nano-architecture (CoOOH LPNAs) with hydrophilic surface and abundant oxygen vacancies (O_v) on carbon fiber paper (CFP) by electrochemical reconstruction of the CoP nanoneedles precursor. The resulting three-dimensional electrode exhibited an impressively low potential of 1.38 V at 1000 mA·cm⁻² and excellent durability for UOR. Furthermore, when tested in an anion exchange membrane (AEM) electrolyzer, it required only 1.53 V at …

Design And Optimization Of Anode Catalysts For Direct Ethanol Fuel Cells: Advances And Challenges In C-C Bond Activation And Selective Modulation Of The C1 Pathway, Kai-Chi Qin, Meng-Tian Huo, Yu Liang, Si-Yuan Zhu, Zi-Hao Xing, Jin-Fa Chang

Journal of Electrochemistry

Direct ethanol fuel cells (DEFCs) are a promising alternative to conventional energy sources, offering high energy density, environmental sustainability, and operational safety. Compared to methanol fuel cells, DEFCs exhibit lower toxicity and a more mature preparation process. Unlike hydrogen fuel cells, DEFCs provide superior storage and transport feasibility, as well as cost-effectiveness, significantly enhancing their commercial viability. However, the stable C–C bond in ethanol creates a high activation energy barrier, often resulting in incomplete electrooxidation. Current commercial platinum (Pt)- and palladium (Pd)-based catalysts demonstrate low C–C bond cleavage efficiency (

Methane Partial Oxidation With Ni-Mg-Al Hydrotalcites: Impact Of Magnesium On Catalyst Performance, Dalia A. Ali Dr.

Chemical Engineering

The partial oxidation of methane (POM) is a promising route for hydrogen-rich syngas production with lower energy requirements compared to steam reforming. Herein, Ni-incorporated Mg-Al hydrotalcite- derived mixed oxide catalysts (5Ni-HT-x, x = 60, 65, 70, 75 wt.% Mg) were synthesized via co-precipitation and evaluated for CH₄ conversion and H₂ yield. Characterization techniques, including X-ray Diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), BET, H₂-TPR, TEM, FTIR, TGA, and Raman spectroscopy, were employed to investigate catalyst structure, active site stability, and carbon deposition. As a constituent of hydrotalcite-derived mixed oxides (HT), Ni2+ is strongly bound within the hydrotalcite- derived mixed oxides structure, …

Upcycling Waste To Wealth: Cuo-Sio₂/Reduced Graphene Nanocomposite From Pomegranate Peels For One-Pot Low-Temperature Conversion Of Waste Oils Into Valuable Fatty Acid Monomers, Attia Attia, Shahenda Mahran Dr., Maria Centeno Prof., Basudeb Saha

Petroleum Engineering and Gas

and hence reduce the price of the fatty acid monomers. This study reports for the first time a novel, environmentally benign, highly active copper oxide-silica oxide/reduced graphene oxide (CuO-SiO2/RGO), heterogeneous nano-catalyst derived from waste pomegranate peels, for the one-pot, low-temperature synthesis of fatty acid monomers from high-acid-value waste vegetable oil (WVO). The synthesised nano-catalyst was extensively characterised using XRD, FT-IR, TEM, SEM, EDX and TGA-DTA. Further, it was utilised to synthesise fatty acidrich oleic phenoxypropyl acrylate (OPA) monomer from high acid value WVO via a single-step reaction.

Investigation Of Co-Current And Counter-Current Multiphase Flow In Upstream Drilling And Production Applications, Hazem Fleifel

LSU Doctoral Dissertations

In the domain of upstream Petroleum Engineering, the dynamics of co-current and counter-current multiphase flows present huge challenges, significantly impacting the efficiency of associated processes. This study investigates two specific applications concerning these flow behaviors, involving both laboratory experiments and transient computer simulations. This work investigates two distinct well control and production enhancement processes, involving multiphase flow dynamics: the bullheading kill procedure and liquid-assisted gas lift (LAGL).

The first topic (Topic 1) explores the bullheading process, a type of well control methods, by challenging the traditional understanding that gas removal efficiency increases monotonically with injection pump flow rate. Through 1D …

Boosted Electrochemical Oxidation Of Methanol At Feox/Pd/Au Ternary Nanocatalyst, Ghada El-Nowihy

Chemical Engineering

In this paper, a highly effective catalyst for methanol electrochemical oxidation (MEO) was developed by the sequential deposition of spherical gold nanoparticles (nano-Au) on a glassy carbon (GC) rod’s surface followed by palladium nanoparticles (nano-Pd), then, iron oxide nanoparticles (nano-FeOx) to form FeOx/Pd/Au/GC catalyst. The sequence of catalyst’s layers proved crucial in optimizing its performance towards MEO. Notably, FeOx/Pd/Au/GC electrode produced a remarkable enhancements in the catalytic activity (by 7 times) and stability (approximately 16 fold) when compared to those produced at Pd/GC rod. Additionally, the onset potential for MEO was significantly reduced by approximately 40 mV. Through material and …

Novel Nano-Composite Materials (Nncms) With The Designations J1, J2, And J3 For Removal Several Harmful Ions, Mohammed K. Al-Doseri, Safaa. R. Fouda, Mohamed Mossad, Mahmoud H. Mahmoud

Mansoura Engineering Journal

The most toxic material to the environment is heavy metals. remove heavy metals from wastewater is done by adsorption. Many papers have been done using different materials to take off toxic dangerous ions from wastewater. Noval Nano-composites material (NNCM)as designated as J1, J2, and J3 the most used adsorbents in this study. To conduct the experiments, synthetic wastewater was generated in the lab. Batch experiments were conducted to create the best conditions for removing these ions from the wastewater. The optimum conditions obtained were 90 min optimum contact time, and pH equal seven, optimal NNCM dose was 0.5 g/L achieving …

Equilibration And Transport Of Binary Mixtures On Planar And Porous Nanomaterials, Andrew Torres

Electronic Theses and Dissertations

We present results of a Kinetic Monte Carlo investigation of the adsorption dynamics of binary gas mixtures on planar and porous sorbents, with a focus on identifying and characterizing kinetic processes involved in uptake evolution and how they influence equilibrium conditions. We also investigate varying thermodynamic simulation parameters such as interactions, alkane lengths, partial pressures and pore configurations to determine how they impact these kinetic processes as well as equilibrium properties. This study matters both for better understanding how kinetics and equilibrium are connected and for improving practical techniques in separation applications. For planar surfaces, weak species overshoot kinetic processes …

Calcium-Ion Transport In Gel And Solid Polymer Electrolytes: From Solvent-Solute Interactions To Molecular Simulations For Next-Generation Calcium Batteries, Xinlu Wang

Dissertations - ALL

Multivalent metal-ion batteries, especially calcium (Ca²⁺) and magnesium (Mg²⁺) systems, are attractive alternatives to lithium-ion technologies owing to their high theoretical energy density, improved safety profiles, and abundant natural resources. Nevertheless, the successful commercialization of these technologies is impeded by challenges in electrolyte development, particularly related to cation solvation, ion transport efficiency, and interfacial stability. This dissertation addresses these challenges through comprehensive experimental investigations and molecular dynamics simulations of polymer-based electrolytes designed explicitly for multivalent cation conduction. In the first study, polymer gel electrolytes comprising poly(ethylene glycol) diacrylate (PEGDA) and low dielectric solvents—1,3-dioxolane (DOL) and dimethoxyethane (DME)—with calcium bis(trifluoromethanesulfonyl)imide (Ca(TFSI)₂) …

Investigating Resilience Of Cyberattack Detection Using Lyapunov-Based Economic Model Predictive Control To Data Poisoning, Helen Durand, Akkarakaran Francis Leonard

Chemical Engineering and Materials Science Faculty Research Publications

Cyberattacks may be performed on process control systems due to their integration of networking and computing with physical systems. Prior work in our group has developed detection strategies for nonlinear systems under sensor, actuator, and combined sensor and actuator attacks which can ensure, under characterizable conditions, that attacks can be detected before they cause safety issues. However, this work did not take into account the potential that an attacker could attempt to provide data to a process that causes an attack to remain undetected but that also is consistent with different process dynamics than those which the process has. This …

Response Of Dynamic Processes With Control Implemented On A Noisy Quantum Computer, Shilpa Narashimhan, Dominic Messina, Henrique Oyama, Helen Durand

Chemical Engineering and Materials Science Faculty Research Publications

A major challenge to determining the applicability (and potential outperformance over classical computers) of a quantum computer (QC) within chemical manufacturing processes is quantum noise. Computations by a QC are error-prone due to the influence of quantum noise inherent to the hardware. Errors in control inputs may destabilize a chemical process and lead to unsafe conditions for manufacturing personnel and the environment. The response of a process with control implemented on a QC to errors due to noise must be investigated thoroughly. In this work, the impacts of control input errors due to quantum noise on a process are modeled …

Heuristic Strategies For Process Stabilization Using Proportional Control Implemented By A Noisy Quantum Simulator, Keshav Kasturi Rangan, Helen Durand

Chemical Engineering and Materials Science Faculty Research Publications

Processing and storage demands of industrial processes are causing fields such as optimization, scheduling, and control to assess the effectiveness of quantum devices in their applications. A key objective of control systems is to ensure process safety. This paper focuses on the potential of quantum devices to compute control inputs that maintain system safety despite sources of nondeterminism inherent to currently available quantum devices (quantum noise). In our previous work, we employed a quantum simulator to assess whether a quantum implementation of a proportional (P) control law could stabilize a single-input/single-output system under quantum noise approximated from a real quantum …

Tools To Design Algorithms For Implementing Control Over Quantum Computers, Shilpa Narashimhan, Jihan Abou Halloun, Kip Nieman, Helen Durand

Chemical Engineering and Materials Science Faculty Research Publications

Quantum computers (QCs) may find future applications within control systems that operate manufacturing processes. For application within control engineering, quantum algorithm development must be led by control engineers. However, control engineers may face challenges in designing quantum algorithms for control engineering problems. In this work, we provide several path-finding studies that leverage engineering tools such as optimization, encryption, and computational "short-cuts" toward making algorithm design for QC easier for control engineers.

Dissolution Mechanism Of Nonionic Polyether Surfactants In Supercritical Co2, Ning Xu, Yanling Wang, Baojun Bai, Shizhang Cui, Zan Gao, Yu Zhang, Di Li, Wenjing Shi, Wenhui Ding, Peixu Ma

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Polyoxyethylene ether is an efficient CO₂-philic compound with significant potential applications in CO₂ flooding, which requires CO₂-philic surfactants with high solubility in supercritical CO₂ (scCO₂). This study elucidates the molecular and atomic-level dissolution mechanism of the fatty alcohol polyoxyethylene ether (AEO) in scCO₂ by combining phase-behavior experiments and molecular dynamics simulations. The solubility of AEO in scCO₂ is measured using a semiconductor laser. AEO containing three polyoxyethylene (EO) groups exhibited the highest solubility in scCO₂.The solubility of AEO in scCO₂ decreased with an increase in the number …

Investigation Of A Stable And Saturated Reference Electrode Using Metal Chlorides And Oxides In Eutectic Licl-Kcl Molten Salts, Carlos Mejia, Devin Rappleye

Faculty Publications

Stable and reproducible reference electrodes (REs) are essential for electrochemical systems operating in high-temperature molten salts, where consistent control of potential is required. This study uses three different solutes to investigate the development and evaluation of REs in eutectic LiCl-KCl at 773 K. The solutes tested were NiCl2, AgCl, and NiO, each prepared at multiple concentrations to assess stability, reproducibility, and saturation. Electrochemical stability was measured over three days using chronopotentiometry (CP), followed by open circuit potential (OCP), with cyclic voltammetry (CV) also integrated to monitor changes in electrochemical behavior over time. The CP-OCP approach established a Li+/Li redox potential, …

Investigation Of A Stable And Saturated Reference Electrode Using Metal Chlorides And Oxides In Eutectic Licl-Kcl Molten Salts, Carlos Mejia, Devin Rappleye

Faculty Publications

Stable and reproducible reference electrodes (REs) are essential for electrochemical systems operating in high-temperature molten salts, where consistent control of potential is required. This study uses three different solutes to investigate the development and evaluation of REs in eutectic LiCl-KCl at 773 K. The solutes tested were NiCl₂, AgCl, and NiO, each prepared at multiple concentrations to assess stability, reproducibility, and saturation. Electrochemical stability was measured over three days using chronopotentiometry (CP), followed by open circuit potential (OCP), with cyclic voltammetry (CV) also integrated to monitor changes in electrochemical behavior over time. The CP-OCP approach established a Li …

Ceramic Waste As Sustainable Material In Self-Compacting Concrete: Experimental Study And Ann Predictive Modeling, Abderrezak Bouziane, Houssam Slimanou, Mohamed Amin Bouzidi, Nedjima Bouzidi

Journal of Sustainable Construction Materials and Technologies

Recycling of ceramic waste in the construction sector is a promising option for reducing the environmental impacts of the concrete industry. The main objective of this study is the elaboration of a solid predictive model for ceramic waste based self-compacting (SCC) concrete properties, using artificial neural networks (ANN). This further, reduces its environmental impact without compromising satisfactory performance. An experimental approach was adopted with different substitution ratios: 0 to 30 wt% and particle sizes ranging from 3-8 mm and 8-15 mm. Tested properties of modified SCC as compressive strength at 7 and 28 days (fc7, fc28), spread (L), sieve stability …

Comparative Study On The Performance Of Ggbs, Uggbs, And Rha-Incorporated Cement Mortar Mixes, Devansh Goel, Sudarshan D. Kore

Journal of Sustainable Construction Materials and Technologies

The environmental footprint of cement production has accelerated the pursuit of sustainable alternatives in the construction industry. Supplementary cementitious materials (SCMs), particularly those derived from industrial and agricultural waste, offer a promising approach to reducing cement consumption while maintaining performance. This study evaluates the fresh and mechanical behavior of binary, ternary, and quaternary cementitious mortar blends incorporating ground granulated blast-furnace slag (GGBS), ultrafine GGBS (UGGBS), and rice husk ash (RHA) as partial replacements for cement. A total of 32 mortar mixes were designed with water-to-binder (w/b) ratios ranging from 0.3 to 0.5 and varied replacement levels of RHA (0-20%), GGBS …

Class A Biosolids Production Using Conventional And Low-Cost, Low-Tech Processes At Small Water Resource Recovery Facilities: A Multidimensional Sustainability Assessment, Janna Brown, Robert Handler, Eric Seagren, Jennifer Becker

Michigan Tech Publications

Producing Class A biosolids is a beneficial way to reuse wastewater treatment solids, but most conventional processes are energy-intensive and expensive. There is growing interest in the use of low-cost, low-tech (LCLT) Class A biosolids treatment processes, especially at small water resource recovery facilities (WRRFs). This study used a holistic sustainability assessment to examine the environmental, economic, and social sustainability of conventional and LCLT processes at small WRRFs. The technologies studied were Direct Heat Drying, Composting, Lagoon Storage, Air Drying, and Temperature-Phased Anaerobic Digestion (TPAD). Environmental impacts were determined by conducting life-cycle assessments for all technologies, which is described in …

A Contemporary Approach For Exploring The Influence Of Detoxification And Standardization Of Traditional Metallopharmaceutical Product Pharmacological And Toxicological Aspects, Malarvizhi K

Theses and Dissertations

Polyherbomineral formulation possess unique medicinal properties due to the presence of metals and minerals as integral part, as processed in addition to specific herbals. There is an increased interest in metallopharmaceuticals in clinical and research areas, because of their immense therapeutic efficiency towards multiple diseases and evidence for non-toxic claim. Sivanar Amirtham is one of the polyherbomineral Siddha medicine recommended for the treatment of various respiratory diseases and other ailments including antidote therapy for poisonous bites. The present research work attempted for standardization of Sivanar Amirtham preparation as per the traditional standard protocols (including the detoxification process of raw materials) …

Bioprospecting Of Wheat Straw Pyrolysis Aqueous Phase To Combat Multi-Drug Resistant Pathogens, Srividhya K

Theses and Dissertations

Hospital-acquired infections (HAIs) significantly contribute to the emergence and spread of antimicrobial resistance (AMR), primarily through the contamination of high-touch surfaces. Current disinfectants have drawbacks like high environmental persistence, ecotoxicity, and resistance development, prompting the need for environmentally friendly alternatives.

One potential approach is pyrolysis, during which the biomass components are broken down into solid, liquid, and pyro-gas. The aqueous phase of the liquid fraction is usually discarded as waste, but it contains a variety of organic compounds that have the potential for antibacterial and antifungal activity. The present study assessed the anti-infective and anti-biofilm properties of wheat straw pyrolysis …

Design And Investigation Of Deep Eutectic Solvent-Assisted Extractive Fermentation Of Biomolecules, Ramya M

Theses and Dissertations

The increasing demand for sustainable and efficient bioprocessing techniques has prompted the development of novel separation strategies integrating bioproduction with downstream processing. Extractive fermentation has emerged as a promising process intensification to overcome product inhibition and enhance productivity by constantly removing target biomolecules from the fermentation medium. Although the extractive fermentation of acids and alcohols has been extensively studied, less attention has been focused on green solvents and their compatibility, phase-forming abilities, and reactor configurations.

Therefore, advancing extractive fermentation technology necessitates comprehensive studies on solvent systems and the development of modified bioreactor configurations to aid future optimization. Initially, 22 DESs …

Techno-Enviro-Economic Approach For Electrification Of Rural And Shrimp Farming Regional Development Of An Isolated Island In Indonesia By Utilizing Hybrid Renewable Energy Systems, Fiqih Akbar Wijaya, Mohammad Akita Indianto

Journal of Materials Exploration and Findings

One of the challenges in developing and archipelagic countries such as Indonesia is maintaining energy demand in rural and isolated areas due to difficulties in electrical distribution. For instance, in areas like Bawean Island, no additional electricity capacity has been introduced in the past year, leading to an unmet potential customer demand. One of the possible options is by utilizing Hybrid Renewable Energy Systems (HRES) that are integrated with existing fossil fuel-based energy systems to support the growing energy demand in the remote island. A case study in Bawean Island is conducted with the projected energy demand covers the energy …

Fire And Explosion Hazard Risk Analysis Of Fuel Transfer Activities At Fuel Terminal “X” Utilizing The Quantitative Risk Analysis (Qra) Method, Angga Wahyu Sulistyawan, Yuliusman Yuliusman

Journal of Materials Exploration and Findings

Fuel transfer operations at Fuel Terminal ‘X’ constitute a critical stage in the energy supply chain, where complex interactions among human, technical, and environmental factors generate inherent risks of fire and explosion. The flammable nature of fuel oil, coupled with the possibility of vapor or liquid releases outcoming by tool failures, connection leaks, or control system malfunctions, underscores the need for robust and proactive risk management strategies. This study aims to evaluate and mitigate these risks by applying Quantitative Risk Assessment (QRA). The assessment utilized the Parts Count method to foercast generic component failure rates and Fault Tree Analysis (FTA) …

Remaining Life Assessment And Fitness For Service Evaluation Of Aging Chemical Reactors In Polyethylene Terephthalate Resin Industry, Aditya Pahlawan Munthe, Donanta Dhaneswara, Wahyuaji Narottama Putra, Gama Widyaputra

Journal of Materials Exploration and Findings

Aging chemical reactors in the polyethylene terephthalate (PET) resin industry require comprehensive evaluation to ensure safe continued operation. This study conducts a remaining life assessment (RLA) and fitness-for-service (FFS) evaluation on five 30-year-old reactors, based on API 510, API 579/ASME FFS-1, and ASME BPVC Section VIII Div. 1 standards. The analysis involves corrosion rate measurement, future corrosion allowance (FCA) projection, and minimum thickness verification. Among the reactors, R-120 was found to have the shortest remaining life less than 15 years. FFS assessments using three criteria Average Measured Thickness, MAWP from Point Thickness Readings, and Minimum Measured Thickness confirm that R-120 …

Exploring Different Metal-Oxide Cathode Materials For Structural Lithium-Ion Batteries Using Dip-Coating, David Petrushenko, Thomas Burns, Paul Ziehl, Ralph E. White, Paul T. Coman

Faculty Publications

In this study, a selection of active materials were coated onto commercially available intermediate modulus carbon fibers to form and analyze the performance of novel composite cathodes for structural power composites. Various slurries containing polyvinylidene fluoride (PVDF), active material powders, 1-methyl-2-pyrrolidone (NMP) and carbon black (CB) were used to coat carbon fiber tows by immersion. Four active materials—lithium cobalt oxide (LCO), lithium iron phosphate (LFP), lithium nickel manganese cobalt oxide (NMC), and lithium nickel cobalt aluminum oxide (NCA)—were individually tested to assess their electrochemical reversibility. The cells were prepared with a polymer separator and liquid electrolytes and assembled in 2025-coin …