Chemical Engineering Commons^™

Physics-Based Proxy Modeling Of Co2 Sequestration In Deep Saline Aquifers, Aaditya Khanal, Md Fahim Shahriar

Jasper Department of Chemical Engineering Faculty Publications and Presentations

The geological sequestration of CO2 in deep saline aquifers is one of the most effective strategies to reduce greenhouse emissions from the stationary point sources of CO2. However, it is a complex task to quantify the storage capacity of an aquifer as it is a function of various geological characteristics and operational decisions. This study applies physics-based proxy modeling by using multiple machine learning (ML) models to predict the CO2 trapping scenarios in a deep saline aquifer. A compositional reservoir simulator was used to develop a base case proxy model to simulate the CO2 trapping mechanisms (i.e., residual, solubility, and …

On-Line Process Physics Tests Via Lyapunov-Based Economic Model Predictive Control And Simulation-Based Testing Of Image-Based Process Control, Henrique Oyama, A. F. Leonard, Minhazur Rahman, Govanni Gjonaj, Michael Williamson, Helen Durand

Chemical Engineering and Materials Science Faculty Research Publications

Next-generation manufacturing involves increasing use of automation and data to enhance process efficiency. An important question for the chemical process industries, as new process systems (e.g., intensified processes) and new data modalities (e.g., images) are integrated with traditional plant automation concepts, will be how to best evaluate alternative strategies for data-driven modeling and synthesizing process data. Two methods which could be used to aid in this are those which aid in testing data-based techniques on-line, and those which enable various data-based techniques to be assessed in simulation. In this work, we discuss two techniques in this domain which can be …

Augmented Formic Acid Electro-Oxidation At A Co-Electrodeposited Pd/Au Nanoparticle Catalyst, Yaser M. Asal, Ahmad M. Mohammad, Sayed S. Abd El Rehim, Islam M. Al-Akraa

Chemical Engineering

In this study, the formic acid electro-oxidation reaction (FAEOR) was catalyzed on a Pd-Au co-electrodeposited binary catalyst. The kinetics of FAEOR were intensively impacted by changing the Pd2+:Au3+ molar ratio in the deposition medium. The Pd1-Au1 catalyst (for which the Pd2+:Au3+ molar ratio was 1:1) acquired the highest activity with a peak current density for the direct FAEOR (Ip) of 4.14 mA cm−2 (ca. 13- times higher than that (ca. 0.33 mA cm−2) of the pristine Pd1-Au0 catalyst). It also retained the highest stability that was denoted in fulfilling ca. 0.292 mA cm−2 (ca. 19-times higher than 0.015 …

Pattern Recognition For Steam Flooding Field Applications Based On Hierarchical Clustering And Principal Component Analysis, Na Zhang, Mingzhen Wei, Baojun Bai, Xiaopeng Wang, Jian Hao, Shun Jia

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Steam flooding is a complex process that has been considered as an effective enhanced oil recovery technique in both heavy oil and light oil reservoirs. Many studies have been conducted on different sets of steam flooding projects using the conventional data analysis methods, while the implementation of machine learning algorithms to find the hidden patterns is rarely found. In this study, a hierarchical clustering algorithm (HCA) coupled with principal component analysis is used to analyze the steam flooding projects worldwide. The goal of this research is to group similar steam flooding projects into the same cluster so that valuable operational …

Pattern Recognition For Steam Flooding Field Applications Based On Hierarchical Clustering And Principal Component Analysis, Na Zhang, Mingzhen Wei, Baojun Bai, Xiaopeng Wang, Jian Hao, Shun Jia

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Steam flooding is a complex process that has been considered as an effective enhanced oil recovery technique in both heavy oil and light oil reservoirs. Many studies have been conducted on different sets of steam flooding projects using the conventional data analysis methods, while the implementation of machine learning algorithms to find the hidden patterns is rarely found. In this study, a hierarchical clustering algorithm (HCA) coupled with principal component analysis is used to analyze the steam flooding projects worldwide. The goal of this research is to group similar steam flooding projects into the same cluster so that valuable operational …

Commemorative Issue In Honor Of Professor Gerhard Ertl On The Occasion Of His 85th Birthday, Stanislaw Waclawek, Andrzej Kudelski, Jochen A. Lauterbach, Dionysios D. Dionysiou

Faculty Publications

This Special Issue (SI) is dedicated to Professor Gerhard Ertl on his eighty-fifth birthday. Professor Ertl is a Professor Emeritus at the Fritz-Haber-Institut der Max-Planck-Gesellschaft (Berlin, Germany). He won the Nobel Prize in Chemistry in 2007 for his work on the fundamental understanding of heterogeneously catalyzed reactions. According to the Royal Swedish Academy of Sciences, Professor Ertl’s research laid the groundwork for the current understanding of the chemistry of surfaces that has helped, for example, in understanding how ammonia is synthesized and how fuel cells generate energy. This SI includes articles focused on materials with potential applications as cathodes for …

Computational Methods To Simulate Molten Salt Thermophysical Properties, Talmage Porter, Michael M. Vaka, Parker Steenblik, Dennis Della Corte

Faculty Publications

Molten salts are important thermal conductors used in molten salt reactors and solar applications. To use molten salts safely, accurate knowledge of their thermophysical properties is necessary. However, it is experimentally challenging to measure these properties and a comprehensive evaluation of the full chemical space is unfeasible. Computational methods provide an alternative route to access these properties. Here, we summarize the developments in methods over the last 70 years and cluster them into three relevant eras. We review the main advances and limitations of each era and conclude with an optimistic perspective for the next decade, which will likely be …

On-Line Process Physics Tests Via Lyapunov-Based Economic Model Predictive Control And Simulation-Based Testing Of Image-Based Process Control, Henrique Oyama, Akkarakaran Francis Leonard, Minhazur Rahman, Govanni Gjonaj, Michael Williamson, Helen Durand

Chemical Engineering and Materials Science Faculty Research Publications

Next-generation manufacturing involves increas- ing use of automation and data to enhance process efficiency. An important question for the chemical process industries, as new process systems (e.g., intensified processes) and new data modalities (e.g., images) are integrated with traditional plant automation concepts, will be how to best evaluate alternative strategies for data-driven modeling and synthesizing process data. Two methods which could be used to aid in this are those which aid in testing data-based techniques on-line, and those which enable various data-based techniques to be assessed in simulation. In this work, we discuss two techniques in this domain which can …

Quantum Computing And Resilient Design Perspectives For Cybersecurity Of Feedback Systems, Keshav Kasturi Rangan, Jihan Abou Halloun, Henrique Oyama, Samantha Cherney, Ilham Azali Assoumani, Nazir Jairazbhoy, Helen Durand, Simon Ka Ng

Chemical Engineering and Materials Science Faculty Research Publications

Cybersecurity of control systems is an important issue in next-generation manufac- turing that can impact both operational objectives (safety and performance) as well as process designs (via hazard analysis). Cyberattacks differ from faults in that they can be coordinated efforts to exploit system vulnerabilities to create otherwise unlikely hazard scenarios. Because coordination and targeted process manipulation can be characteristics of attacks, some of the tactics previously analyzed in our group from a control system cybersecurity perspective have incorporated randomness to attempt to thwart attacks. The underlying assumption for the generation of this randomness has been that it can be achieved …

Functional Carbon Nitride Materials In Photo-Fenton-Like Catalysis For Environmental Remediation, Jingkai Lin, Wenjie Tian, Zheyu Guan, Huayang Zhang, Xiaoguang Duan, Hao Wang, Hongqi Sun, Yanfen Fang, Yingping Huang, Shaobin Wang

Research outputs 2022 to 2026

Among various advanced oxidation processes, coupled photocatalysis and heterogeneous Fenton-like catalysis (known as photo-Fenton-like catalysis) to generate highly reactive species for environmental remediation has attracted wide interests. As an emerging metal-free photocatalyst, graphitic carbon nitride (g-C3N4, CN) has been recently recognized as a promising candidate to catalyze robustly heterogeneous photo-Fenton-like reactions for wastewater remediation. This review summarizes recent progress in fabricating various types of CN-based catalysts for the photo-Fenton-like reaction process. Innovative engineering strategies on the CN matrix are outlined, ranging from morphology control, defect engineering, nonmetal atom doping, organic molecule doping to modification by metal-containing species. The photo-Fenton-like catalytic …

One Factor At A Time Analysis To Modify Potting Technique For Manufacturing Of Bubble-Free High-Voltage Polyester Insulated Automotive Coils, Ahmad Nawaz, Ishaq Ahmad, Waseem Akram, Bilal Islam, Danil Yurievich Pimenov, Khaled Giasin, Muhammad Aamir

Research outputs 2022 to 2026

The current study focuses on minimising the bubbles in polyester-insulated ignition coils, which were produced with a defect level of ~21–25% or 210–250 coils per 1000 batch size by using the potting method. This high-level rejection makes a substantial financial impact by increasing waste material, manufacturing, and after-sales costs. Hence, to control the bubbled problem without using expensive and maintenance-heavy techniques, the process parameters in the potting method were alternated and investigated using one factor at a time, which played a vital role in the formation/ reduction of bubbles in the ignition coil insulation. Process parameters, including pre/process heating, the …

Comprehensive Review Of Polymer And Polymer Gel Treatments For Natural Gas-Related Conformance Control, Ali Al Brahim, Baojun Bai, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Conformance problems often exist in natural gas-related activities, resulting in excessive water production from natural gas production wells and/or excessive natural gas production from oil production wells. Several mechanical and chemical solutions were reported in the literature to mitigate the conformance problems. Among the chemical solutions, two classes of materials, namely polymer gels and water-soluble polymers, have been mostly reported. These systems have been mainly reviewed in several studies for their applications as water shutoff treatments for oil production wells. Natural gas production wells exhibit different characteristics and have different properties which could impact the performance of the chemical solutions. …

Stagnation And Tearing Of The Subducting Northwest Pacific Slab, Muchen Sun, Youqiang Yu, Stephen S. Gao, Kelly H. Liu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Despite numerous observational and geodynamic modeling studies, the presence of the northwest Pacific slab tear and its influence on mantle dynamics remain controversial. By imaging the mantle transition zone (MTZ) discontinuities beneath the Japan Sea and adjacent areas, we demonstrate an ESE-WNW elongated zone with significant MTZ thinning extending from central Honshu, Japan, to the Korean Peninsula, which provides additional supporting evidence for the existence and distribution of a large-scale slab tear. Our results, when combined with other geophysical and geochemical evidence, indicate that the hot mantle material oceanward of the slab may flow through the slab tear and contribute …

Effect Of Arginine And Nano-Hydroxyapatite Application On The Hypersensitivity And Color Change Of Bleached Enamel: A Randomized Controlled Clinical Trial, Lamiaa M. Moharam, Sherif Khadr, Ahmed Abdou, Shaymaa M. Nagi

Chemical and Biochemical Engineering Faculty Research & Creative Works

Background: To evaluate the effect of 2.5% Arginine and nano-hydroxyapatite (nHA) application on the post-bleaching hypersensitivity (HS) and color change in a randomized controlled trial. Material and Methods: Sixty-four participants were randomly allocated to four groups (n=16) according to the investigated desensitizing agents (UltraEZ gel, experimental 2.5% Arginine, 2.5% nHA pastes and control (no treatment) groups). An in-office chemical bleaching agent (40% hydrogen peroxide) was used for vital bleaching of the anterior teeth. The desensitizing agents were applied to the assigned groups and left for 30 min then rinsed off the teeth. HS was evaluated using Visual Analogue Scale (VAS) …

Porcine Liver Injury Model To Assess Tantalum-Containing Bioactive Glass Powders For Hemostasis, Malvika Nagrath, Danielle Bince, Corwyn Rowsell, Deanna Polintan, Joao Rezende-Neto, Mark R. Towler

Chemical and Biochemical Engineering Faculty Research & Creative Works

This study evaluates compositions of tantalum-containing mesoporous bioactive glass (Ta-MBG) powders using a porcine fatal liver injury model. The powders based on (80-x)SiO₂-15CaO-5P₂O₅-xTa₂O₅ compositions with x = 0 (0Ta/Ta-free), 1 (1Ta), and 5 (5Ta) mol% were made using a sol–gel process. A class IV hemorrhage condition was simulated on the animals; hemodynamic data and biochemical analysis confirmed the life-threatening condition. Ta-MBGs were able to stop the bleeding within 10 min of their application while the bleeds in the absence of any intervention or in the presence of a commercial agent, AristaTM …

A Novel Numerical Model Of Gelant Inaccessible Pore Volume For In Situ Gel Treatment, Jianqiao Leng, Xindi Sun, Mingzhen Wei, Baojun Bai

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Inaccessible pore volume (IAPV) can have an important impact on the placement of gelant during in situ gel treatment for conformance control. Previously, IAPV was considered to be a constant factor in simulators, yet it lacked dynamic characterization. This paper proposes a numerical simulation model of IAPV. The model was derived based on the theoretical hydrodynamic model of gelant molecules. The model considers both static features, such as gelant and formation properties, and dynamic features, such as gelant rheology and retention. To validate our model, we collected IAPV from 64 experiments and the results showed that our model fit moderately …

Comprehensive Review Of Polymer And Polymer Gel Treatments For Natural Gas-Related Conformance Control, Ali Al Brahim, Baojun Bai, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Conformance problems often exist in natural gas-related activities, resulting in excessive water production from natural gas production wells and/or excessive natural gas production from oil production wells. Several mechanical and chemical solutions were reported in the literature to mitigate the conformance problems. Among the chemical solutions, two classes of materials, namely polymer gels and water-soluble polymers, have been mostly reported. These systems have been mainly reviewed in several studies for their applications as water shutoff treatments for oil production wells. Natural gas production wells exhibit different characteristics and have different properties which could impact the performance of the chemical solutions. …

Development And Application Of A 1d Compaction Model To Understand 65 Years Of Subsidence In The San Joaquin Valley, Matthew Lees, Rosemary Knight, Ryan G. Smith

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

High rates of land subsidence, caused by groundwater overdraft, are resulting in millions of dollars of infrastructure damage in California's San Joaquin Valley (SJV). In recent years, the use of interferometric synthetic aperture radar (InSAR) has enabled us to substantially improve our understanding of this subsidence. However, only very occasionally have the InSAR data been integrated with a physical model of subsurface compaction. Here, we have used InSAR and other data to parameterize and calibrate a 1D compaction model. We applied our model to a study area in the SJV where we had access to the necessary information on hydraulic …

Regularized Ridge Regression Models To Estimate Static Elastic Moduli From Wireline Measurements: Case Study From Southern Iraq, Husam H. Alkinani, Abo Taleb T. Al-Hameedi, Shari Dunn-Norman, Munir Aldin, Deepak Gokaraju, Andreina Guedez, Atheer M. Alattar

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Elastic moduli such as Young's modulus (E), Poisson's ratio (v), and bulk modulus (K) are vital to creating geomechanical models for wellbore stability, hydraulic fracturing, sand production, etc. Due to the difficulty of obtaining core samples and performing rock testing, alternatively, wireline measurements can be used to estimate dynamic moduli. However, dynamic moduli are significantly different from elastic moduli due to many factors. In this paper, correlations for three zones (Nahr Umr shale, Zubair shale, and Zubair sandstone) located in southern Iraq were created to estimate static E, K, and ν from dynamic data. Core plugs from the aforementioned three …

Effects Of Wettability, Lithology, And Permeability On The Optimum Slug Size Of Low Salinity Water Flooding In Carbonates: An Experimental Approach, Hala Khaled Hasan Alshadafan

Theses

Low salinity water flooding has attracted academic and industry communities due to its relatively simple and applicable technology. One of the drawbacks of applying the IOR/EOR technique is the lack of the availability of low salinity water in large quantities at the reasonable cost required for a technically and environmentally successful project. To overcome this problem, the industry proposed to use produced water/sea water after dilution, and reverse osmosis filter technology to achieve the required salinity. Both techniques are quite costly and might hinder the project's economic success. Low salinity water as slug size followed by high salinity water was …

Fabrication And Characterization Of Graphene Oxide-Based High-Density Polyethylene / Polypropylene Nanocomposites For Biomedical Applications, Albaina Ali Aldhaheri

Theses

Polymeric nanocomposites have recently become one of the most essential sought-after materials for biomedical applications. Among many others, High-Density Polyethylene (HDPE) is being widely used as a bearing material for the artificial hip and knee joints. However, the weak surface properties of HDPE limit the total artificial hip joints’ survival chances. The addition of polypropylene (PP) improves the surface properties of HDPE composites along with their thermal, chemical, and mechanical properties which are crucial in biomedical applications. Moreover, PP can be easily blended with polyethylene (PE) as it has an almost similar chemical resistance to PE. However, PP is more …

A Novel Numerical Model Of Gelant Inaccessible Pore Volume For In Situ Gel Treatment, Jianqiao Leng, Xindi Sun, Mingzhen Wei, Baojun Bai

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Inaccessible pore volume (IAPV) can have an important impact on the placement of gelant during in situ gel treatment for conformance control. Previously, IAPV was considered to be a constant factor in simulators, yet it lacked dynamic characterization. This paper proposes a numerical simulation model of IAPV. The model was derived based on the theoretical hydrodynamic model of gelant molecules. The model considers both static features, such as gelant and formation properties, and dynamic features, such as gelant rheology and retention. To validate our model, we collected IAPV from 64 experiments and the results showed that our model fit moderately …

Designing The Electrode Geometry And Electrolyte To Enhance The Product Selectivity And Activity In Carbon Dioxide Electroreduction, Samaneh Sharifi Golru

Dissertations, Theses, and Capstone Projects

Excessive utilization of the fossil fuels due to the rapid growth of the global population has resulted in a dramatic increase in the carbon dioxide (CO₂) level in the atmosphere which is the main reason for global warming and climate change. Therefore, green technologies are in high demand to develop carbon-neutral energy cycles. In this regard, CO₂ electroreduction (CO2ER) has been proposed as a promising approach for CO₂ utilization. CO2ER can mitigate the CO₂ level in the atmosphere as well as produce value-added chemicals and fuels at ambient conditions. Despite the benefits of CO_{2 …}

Effect Of Process Control Agents Used In Mechanochemical Synthesis On Properties Of The Prepared Composite Reactive Materials, Mehnaz Mursalat

Dissertations

The study explores synthesis and reactivity of new reactive materials prepared by ball milling. High-energy ball milling became a ubiquitous mechano-chemical tool to manufacture diverse powders, from pharmaceuticals or foods to alloys to new solid rocket propellants. It enabled a dramatic expansion of the range of chemical compositions obtainable; however, it did not so far, allowed one to fine-tune morphology or interfaces in the generated powders. It is shown in this work how different process control agents (PCAs) can serve to tune the powder morphology and reactivity. Commonly used as lubricants and cooling agents during milling, liquid PCAs can be …

Understanding The Interfacial Processes Of Reactive Nanobubbles Toward Agricultural Applications, Xiaonan Shi

Dissertations

There is a growing interest in nanobubble (NB) technology because of its diverse applications (e.g., detergent-free cleaning, water aeration, ultra-sound imaging and intracellular drug delivery, and mineral processing). NBs have a higher efficiency of mass transfer compared to bulk scale bubbles due to the high specific surface areas. The high specific surface also facilitates physical adsorption and chemical reactions in the gas liquid interface. Furthermore, the collapse of NBs creates shock waves and the formation of hydroxyl radicals (OH).

However, it remains elusive why or how NBs are stabilized in water and particularly, the states of internal pressures of NBs …

Atmospheric Mercury Chemistry: Detection, Kinetics, And Mechanism, Na Mao

Dissertations

The presence of mercury in the environment is of global concern due to its toxicity. The atmosphere is an important transient reservoir for mercury released by human activities and natural sources. The knowledge of atmospheric mercury chemistry is critical for understanding the global biogeochemical cycle. In the atmosphere, mercury primarily exists in three forms: gaseous elemental mercury (GEM), gaseous oxidized mercury (GOM), and particulate-bound mercury (PBM). Over the last decade, the existing knowledge of mercury cycle has dramatically changed: (1) There has been increasing evidence that current detection methods do not accurately quantify gaseous oxidized mercury and a technique which …

A Detailed Parameter Study Into The Dermal Absorption Of Chemical Warfare Agents And The Effects Of Pharmacokinetics, Koko Lear

Theses

Chemical warfare agents (CWAs) are substances of varying toxicity profiles. These chemicals exhibit complex dynamics and pose a serious health risk when released into the environment. A mathematical model based on Fick’s second law of diffusion was developed to comprehend how these compounds were absorbed into the skin. The analysis applied to both small and large doses and, successfully, predicted experimental results. This work also includes the effects of CWA physicochemical properties on evaporation and dermal absorption through the stratum corneum. A sensitivity analysis was conducted to assess the impacts of small variations in the initial dose, environmental conditions, and …

Electrochemical Synthesis Of Acetylpyrazine, Lin Mao, Dong-Fang Niu, Shuo-Zhen Hu, Xin-Sheng Zhang

Journal of Electrochemistry

Acetylpyrazine is naturally presented in hazelnuts, peanuts, and sesame seeds. As an important food additive, it is widely used in baked foods, meat, sesame and tobacco. At the same time, acetylpyrazine is also an important pharmaceutical intermediate, which is used in the syntheses of anti-tuberculosis drugs, anti-tumor, anti-malaria, anti-viral, antibacterial and treatments of epilepsy, pain and Parkinson’s drugs. At present, the synthesis methods of acetylpyrazine include oxidation method, multi-step method and Grignard reagent method, which have the disadvantages of low yield, cumbersome process, severe reaction conditions and high cost. In this study, acetylation of pyrazine was used to synthesize acetylpyrazine …

Electrocatalytic "Volcano-Type" Effect Of Nano-Tio2 (A)/(R) Phase Content In Pt/Tio2-CnX Catalyst, Ai-Lin Cui, Yang Bai, Hong-Ying Yu, Hui-Min Meng

Journal of Electrochemistry

The relationship between the electrochemical activity of fuel cell catalysts and Pt particle size, as well as the catalyst support and co-catalyst is still unclear. In this work, FESEM, XRD, BET, TEM and CV techniques were adopted to investigate the effects of TiO₂ anatase (A)/rutile (R) phases content on the electrochemical activity of Pt electrocatalyst. The results showed that the anatase-rutile phase transformation occurred during the heat treatment of TiO₂ at 700 ~ 900 ^oC accompanied by the growth of two-phase crystalline size, and anatase was completely transformed into rutile at 900 ^oC. TEM results revealed …

Electroanalytical Measurements Of Lanthanum (Iii) Chloride In Molten Calcium Chloride And Molten Calcium Chloride And Lithium Chloride, Mark H. Schvaneveldt, Ranon Fuller, Devin Rappleye

Faculty Publications

Cyclic voltammetry (CV), square wave voltammetry (SWV) and other electroanalytical methods have been applied to molten chloride salts to study metal ion behavior. These studies have been useful for understanding and optimizing the electrowinning of metals. Notable ions that have been studied are rare earth and actinide metal ions in LiCl-KCl salts. However, the behavior of lanthanum (La³⁺) ions in some molten chlorides or chloride mixtures (e.g., CaCl₂) has not been studied. CV experiments were conducted to evaluate La³⁺ behavior in CaCl₂-LiCl and CaCl₂ and were compared to La³⁺ behavior in …