Chemical Engineering Commons^™

A New Deep Decoder Type Cascaded Feedforward Neural Network For Critical Heat Flux Prediction In Power Reactors, Rehan Zubair Khalid, Atta Ullah, Asifullah Khan, Mansoor Hameed Inayat, Muthanna H. Al-Dahhan

Chemical and Biochemical Engineering Faculty Research & Creative Works

Critical Heat Flux (CHF) is a fundamental parameter for ensuring the performance, reliability, safety, and economic viability of water-cooled nuclear reactors. Despite its significance, the absence of a deterministic theory for CHF prediction poses a substantial challenge in thermal engineering. Consequently, various experimental and numerical models have been developed, yet no universally accepted model comprehensively addresses the wide range of flow conditions encountered in practical applications. The accurate prediction of CHF remains a complex and critical task. This work introduces a novel Deep Decoder Type Cascaded feedforward Neural Network (DD-CFNN) to predict CHF across a broad spectrum of operating conditions. …

Experimental Investigation Of Heat Transfer Behavior In Spouted Bed Reactors Under Different Operating Conditions, Hasan A. Abdulwahab, Abbas J. Sultan, Amer A. Abdulrahman, Hasan Sh Majdi, Haydar A.S. Aljaafari, Zahraa W. Hasan, Laith S. Sabri, Bashar J. Kadhim, Jamal M. Ali, Muthanna H. Al-Dahhan

Chemical and Biochemical Engineering Faculty Research & Creative Works

Abstract: Spouted bed reactors (SBRs) are highly valued for their effectiveness in chemical and biochemical processes due to their mixing and heat transfer capabilities. Understanding the heat transfer mechanisms in these reactors is necessary. This research delves into the heat transfer behavior of SBRs, which plays a role in enhancing their performance under operational conditions. The study conducted experiments to measure the heat transfer coefficient (HTC) at varying gas velocities (ranging from 0.32 to 0.74 m/s) at radial positions (r/R = 0, ±0.28, ±0.56, and ±0.85) and axial levels (H/D = 0.8, 2.1, and 3.5) within the spouted bed (SB) …

Metathesis Or Isomerization: Counteranion Directed Reactivity Of Grubbs I, Paul D. Miller, Joe B. Calkins, Craig A. Bayse, Trandon A. Bender

Chemistry & Biochemistry Faculty Publications

Catalytic isomerization of alkenes has garnered interest for many years, but there are remaining challenges when it comes to thermodynamic selectivity and uncontrolled isomerization. Nonbiased substrates, be it sterically or thermodynamically, remain challenging for many catalysts, with a few examples available in the more modern literature. Herein, we present the controlled isomerization of linear alkenes with a cocatalytic mixture of commercially available catalyst and reagents: Grubbs I, tris(pentafluorophenyl)borane, and triethylsilane. DFT calculations indicate that an observed alkylidyne hydride intermediate is in rapid equilibrium with an alkylidene that binds the alkene substrate. This combination results in a pi-acidic metal and a …

Supercapacitors With Cotton Shell-Derived Activated Carbons And Porous Polymer Electrolyte Films, Saurabh Singh, Yulin Zhang, S. A. Hashmi, Fuqian Yang

Chemical and Materials Engineering Faculty Publications

Some of the well-known challenges in the field of supercapacitors (SCs), or more specifically, electrical double-layer capacitors (EDLCs), such as low energy density and high cost, have proven to be major barriers to their widespread market success despite having some excellent electrochemical merits such as high-power density and good cyclic stability. In this work, efforts have been made to overcome these gaps and eventually enhance the performance of EDLCs via a cost-effective and eco-friendly approach. To fabricate these EDLCs, a bio-waste, namely, cotton-shell-derived activated carbons (ZnACs) (activated with ZnCl2), was used in a mass ratio of 1 : 2 for …

Improvement Of Cellular Pattern Organization And Clarity Through Centrifugal Force, Lauren E. Mehanna, James D. Boyd, Shelley Remus-Williams, Nicole M. Racca, Dawson P. Spraggins, Martha E. Grady, Brad J. Berron

Chemical and Materials Engineering Faculty Publications

Rapid and strategic cell placement is necessary for high throughput tissue fabrication. Current adhesive cell patterning systems rely on fluidic shear flow to remove cells outside of the patterned regions, but limitations in washing complexity and uniformity prevent adhesive patterns from being widely applied. Centrifugation is commonly used to study the adhesive strength of cells to various substrates; however, the approach has not been applied to selective cell adhesion systems to create highly organized cell patterns. This study shows centrifugation as a promising method to wash cellular patterns after selective binding of cells to the surface has taken place. After …

Integrating Protein Language Model And Molecular Dynamics Simulations To Discover Antibiofouling Peptides, Ibrahim A. Imam, Shea Bailey, Duolin Wang, Shuai Zeng, Dong Xu, Qing Shao

Chemical and Materials Engineering Faculty Publications

Antibiofouling peptide materials prevent the nonspecific adsorption of proteins on devices, enabling them to perform their designed functions as desired in complex biological environments. Due to their importance, research on antibiofouling peptide materials has been one of the central subjects of interfacial engineering. However, only a few antibiofouling peptide sequences have been developed. This narrow scope of antibiofouling peptide materials limits their capacity to adapt to the broad spectrum of application scenarios. To address this issue, we searched for antibiofouling peptides in the vast sequence pool of the microbiome library using a combination of deep learning-based high-throughput search and molecular …

Clarifying The Role Of Η-Phase With Varying Chemistry On Localised Corrosion Of A Cu-Containing 7xxx Al-Alloy By Quasi-In-Situ Tem, S. K. Kairy, Y. Wu, S. Turk, A. Shekhter, Rudolph Buchheit, N. Birbilis

Chemical and Materials Engineering Faculty Publications

Quasi-in-situ transmission electron microscopy was employed to study dissolution associated with η-phase (Mg(Zn,Al,Cu)₂) precipitates in a Cu-containing 7xxx Al-alloy. Two distinct η-phase chemistries, with Cu to (Zn+Mg+Al) ratios ∼0.12 and ∼0.2, were studied in 0.01 M NaCl at pH 6 and 2. In near-neutral NaCl, both η-phase precipitates exhibited ‘duplex’ behaviour, i.e., they were primarily more noble with respect to the surrounding Al-matrix, causing matrix dissolution, and simultaneously established nanoscopic active sites within the noble precipitate itself by generating nanoscale pits. Conversely, η-phase precipitates rapidly dealloyed in acidic NaCl, forming nocrystalline Cu remnants containing twins, which subsequently caused …

Enhancing Intrinsic Ductility In Vnbmotaw High Entropy Alloy: A Combinatorial Investigation With Experimental Evaluation Of Theoretical Predictions, Taohid Bin Nur Tuhser, Ian Stewart Winter, Daryl Chrzan, Thomas John Balk

Chemical and Materials Engineering Faculty Publications

The application of refractory high entropy alloys (RHEAs) as engineering materials has been hindered by their poor inherent ductility. In this study, a novel approach combining thin film combinatorial screening with fragmentation testing was employed to identify intrinsically ductile alloy compositions. Inspired by the physics-based intrinsic ductility parameter, the ‘χ-parameter,’ we investigated the replacement of group VI elements (W/Mo) with group V elements (V, Nb, Ta) in the VNbMoTaW system. Conventional combinatorial analyses, including composition, phase, and hardness assessments, were conducted across a wide range of non-equiatomic configurations. The results revealed a broad compositional space favoring a single-phase body-centered cubic …

Enhancement Of Intersystem Crossing In Asymmetrically Substituted Bodipy Photosensitizers, Mikhail Filatov, Tatsiana Mikulchyk, Maxine Hodee, Metodej Dvoracek, Venkata N.K. Mamillapalli, Aimee Sheehan, Craig Newman, Sergey M. Borisov, Daniel Escudero, Izabela Naydenova

Articles

We present a novel method to promote intersystem crossing (ISC) and triplet state formation in boron dipyrromethenes (BODIPYs) through the asymmetrical introduction of functional groups within the chromophore. This approach enables the development of new BODIPY photosensitizers without relying on the incorporation of heavy atoms or large electron-donating aromatic groups. Demonstrated on a series of 14 synthesized asymmetrical BODIPY (aBDP) compounds, it significantly enhances photosensitization efficiency compared to the reference symmetrical BODIPYs. In particular, the asymmetrical introduction of ethoxycarbonyl groups into pyrrolic rings of the BODIPY core lead to efficient ISC and singlet oxygen generation, with quantum yields reaching 0.76 …

Flipped Classroom Techniques In A Thermodynamics Course In Engineering Technology, Nathan Luetke, Orlando Ayala, Vukica Jovanovic

Engineering Technology Faculty Publications

Teaching undergraduate thermodynamics presents numerous challenges to educators due to its inherently complex and abstract nature. The vast array of applications in engineering requires educators to strike a balance between theoretical principles and practical examples, thereby creating a meaningful and applicable learning experience. This paper presents an approach to teaching an undergraduate thermodynamics course in engineering technology developed over four consecutive semesters blending traditional lecture-based teaching with flipped classroom techniques. The teaching methods used, and modifications made each semester are presented along with student performance.

Cfd Analysis Of Hydrodynamic Cavitation Through An Orifice: Influence Of Different Inlet Pressures And Number Of Orifice Holes, Lemthong Chanphavong, Vongsavanh Chanthaboune, Keophousone Phonhalath

ASEAN Journal on Science and Technology for Development

Hydrodynamic cavitation (HC) is considered an energy-efficient process with high potential for utilization in many chemical processes. This study presents a computational fluid dynamics (CFD) analysis of cavitating flow through an orifice with a constant flow area. The Reynolds-Averaged Navier-Stokes (RANS) equations, coupled with turbulence and cavitation models, are employed to capture the complex flow behaviors. The effects of inlet pressures and number of orifice-holes on cavitation behavior are investigated. Result of the numerical simulation is validated with the existing experimental data from the literature. The CFD study revealed that cavitation initiates just behind the inlet edge of the orifice …

Effects Of Chain Length, Saturation, And Bases On Saponification, Sarah Fenik

Williams Honors College, Honors Research Projects

This project will analyze the effects of chain length and saturation of fatty acids on saponification processes, as well as the effects of the base used in the reaction. Stearic acid, lauric acid, and oleic acid will be used for the fatty acid comparisons, and sodium hydroxide and potassium hydroxide will be used for the base comparisons. Stearic acid is considered a long chain fatty acid, while lauric acid is considered a short chain fatty acid. Oleic acid is a monounsaturated fatty acid. Five soap products are be made: sodium stearate, sodium laurate, sodium oleate, potassium stearate, and potassium oleate. …

Anti-Icing Properties Of 3d-Printed Superhydrophobic Surfaces, Nathan Kling

Williams Honors College, Honors Research Projects

This project aims to investigate how textured microscopic surfaces can reduce ice adhesion, utilizing 3D-printed resin materials. By varying the size and shape of these surface imperfections, the research seeks to identify configurations that minimize ice formation and facilitate easier ice removal. The trapped air between the imperfections is expected to hinder water droplet adhesion, promoting detachment through gravity or motion. The study’s applications could extend to preventing icing on power lines, roads, and aircraft. Methodologically, the project will build on prior research, applying water to textured surfaces under controlled temperature conditions to assess ice formation and removal efficiency. Key …

Corrosion Of Pipes In Soil Under Cathodic Protection, Ashley Chow

Williams Honors College, Honors Research Projects

This research project focuses on understanding how various soil properties affect the corrosion of buried pipelines that are protected by cathodic protection (CP) systems. Specifically, the study seeks to evaluate key soil characteristics, including resistivity, moisture content, and pH levels to determine their influence on the efficiency of CP systems in mitigating corrosion. Through controlled laboratory experiments, carbon steel specimens were exposed to a range of simulated soil conditions to mimic real-world environments. Corrosion rates were assessed using advanced electrochemical techniques, such as linear polarization resistance (LPR) and Tafel slopes, along with traditional mass loss methods. The primary objectives of …

Prediction Of Glass Transition Temperature Of Polymers Using Structure-Based Models, Nicholas Wolfe

Williams Honors College, Honors Research Projects

The focus for this study is prediction of glass transition temperatures of polymers using machine learning models. The preprocessing of the data included the generation of descriptors, the scaling of the data, the principal component analysis for dimensionality reduction, and the clustering of the data. Three methods of property predictions were utilized including Linear Regression, Random Forest, and a Feedforward Neural Network. The dataset consisted of over 7000 polymers each with their respective glass transition temperatures. This study found that the Random Forest model returned the best results followed by the Feedforward Neural Network then the Linear Regression model. Each …

Qualitative Analysis Of Surface Modification On Wiffleball Aerodynamics, Cole Lanni

Williams Honors College, Honors Research Projects

This project investigated how surface modifications to a Wiffleball affect its aerodynamic behavior, particularly its vertical and horizontal movement when thrown. The study tested the hypothesis that altering surface texture through cutting or sanding would influence airflow and pressure differentials, thereby changing the ball's movement. Six ball conditions: including unmodified, sanded, and various cut patterns were tested using a pitching machine in a controlled indoor environment. Each variation was pitched ten times, and movement was analyzed through measurements of contact points on posterboards and performing statistical testing, specifically ANOVA with Post Hoc analysis. Results indicated that surface modifications significantly increased …

Urotropine As A Corrosion Inhibitor In Steel Rebar: A Molecular Dynamics Study, Tyler Zadrozny

Williams Honors College, Honors Research Projects

This project investigates the behavior of corrosion in rebar, a critical component in infrastructure such as roads and skyscrapers. Corrosion of rebar can lead to structural instability, visible as cracks or pitting on the surface. The primary focus is on the potential of urotropine as a corrosion inhibitor. Urotropine, known for its ability to inhibit corrosion in mild steel in acidic environments, is hypothesized to be effective in preventing corrosion on rebar. To explore this, molecular dynamics simulations using LAMMPS were conducted, modeling urotropine molecules in an acidic solution (PH = 1) interacting with iron atoms, mimicking rebar. Simulations were …

Modeling The Thermodynamics Of Butadiene And Carbon Dioxide Coupling Reactions, Alexis Sarantos

Williams Honors College, Honors Research Projects

This project will analyze the synthesis reaction of ethenylated 𝛿-valerolactone (EVL), specifically to determine certain thermodynamic properties of EVL and its coproducts. The thermodynamic properties of the reaction products can then be utilized to make the development of a large-scale process simpler and safer. The properties that will be determined are the heats of formations, heat capacities, and changes in enthalpy caused by each product during the reaction, and these will be used to determine whether the energy produced by the reaction is sufficient to maintain formation of the desired product. Additionally, a process model of heat flows and energy …

Effects Of Soil Properties On Cp Performance, Cecilia Segretario

Williams Honors College, Honors Research Projects

This research aims to evaluate the affect of various soil properties on the effectiveness of cathodic protection (CP) in preventing underground pipeline corrosion. Metal coupons of common pipeline materials with applied CP will be mounted in several separate controlled soil environments to manipulate real world underground corrosion scenarios. Each soil environment will have different physical properties by mixing the soil with a prepared chemical solution. The physical properties to be evaluated include pH, resistivity, and moisture content. At the end of a corrosion duration, weight loss method will be used to evaluate the corrosion rate over that period. Additionally, the …

Effects Of Polyolefin Types On Catalytic Hydrocracking, Kenneth Jackson Seeber

Williams Honors College, Honors Research Projects

Plastic waste recycling has become an important conversation in the last couple of decades with pollution on the rise. One of the few ways to recycle plastics is by breaking these long-chained polymers down via catalytic processes. Due to many plastic products being a blend, it is imperative that any chosen catalyst that could be used for recycling should be able to handle different types of polymers. This paper discusses how tungsten carbide over silica (W_xC/SiO₂) catalyzes the degradation of a few selected polymers and polymer blends. From this research it was determined that W_{x …}

Comsol Simulation Of Pipeline Corrosion With Cathodic Protection, Ethan Scalzo

Williams Honors College, Honors Research Projects

Cathodic protection (CP) is a widely used technique to mitigate corrosion in buried steel pipelines. This study uses COMSOL Multiphysics to model and analyze the performance of both sacrificial anode and impressed current systems in a simulated 3D environment. The model solves for pipeline potential, current density, and corrosion rate within a surrounding soil domain to assess protection coverage across the pipeline. Simulations were conducted to evaluate the influence of electrode and electrolyte properties on CP effectiveness. The study demonstrates that COMSOL Multiphysics is an effective tool for modeling CP systems, offering insights that align with established industry practices. While …

Polystyrene Plastic Waste As An Organic Hydrogen Carrier, Alaina Bachmann

Williams Honors College, Honors Research Projects

The proposed research develops and studies catalytic chemical processes that enables using polystyrene (PS) plastic waste as solid “organic hydrogen carriers” (OHC). Demands for OHCs are driven by desire to alleviate climate change, by replacing carbon-based energy sources with hydrogen. However, hydrogen is highly flammable and difficult to store and transport so OHCs are needed to facilitate its transportation. Common OHCs are liquid petroleum chemicals with unsaturated chemical structures. They can be hydrogenated to store hydrogen and dehydronated to release hydrogen at desired application sites. The proposed research aims to investigate the following cycle: hydrogen storage by hydrogenation of PS …

Quantifying The Effectiveness Of Rhamnolipid As A Biocide: Assessing Comparability Of A Modified Solution, Rosemary Sterling

Williams Honors College, Honors Research Projects

The CO2 induced corrosion of carbon steel in oil and gas pipelines, exacerbated by sulfate-reducing bacteria (SRB), poses a serious threat to infrastructure. This study evaluates the effectiveness of rhamnolipid (RhL), a biosurfactant, as a corrosion inhibitor and potential SRB biocide in simulated pipeline environments. Using a Postgate-C Modified Produced Water Simulant, which demonstrated electrochemical behavior comparable to industry-standard solutions while sustaining SRB, corrosion trials were conducted with and without RhL. Mass loss and electrochemical data revealed that RhL significantly reduced corrosion rates—by 85% on average and up to 99% instantaneously in a 4-day trial. Visual and analytical results from …

Calibration Of A Low-Cost Air Quality Sensor Package Integrated Into The New York State Mesonet, Ellie Hojeily

Electronic Theses & Dissertations (2024 - present)

The University at Albany designed and manufactured 59 low-cost air quality sensor packages to continuously measure PM₂.₅, CO, O₃, NO₂, and NO at 38 New York State Mesonet (NYSM) sites located in the New York City Metropolitan Area. Prior to use for monitoring, low-cost sensors require calibration to correct for environmental sensitivities. Calibration models can be developed using data collected from co-location periods in which low-cost sensors are installed at sites with Federal Reference Methods and/or Federal Equivalent Methods instruments. In this study, packages were periodically co-located (calibrated) for 18 to 162 days at the New York State Department of …

Pla Polymer Binder In Core Production - Influence On Final Casting Dimensions, Artur Soroczyński, Krzysztof Rechowicz

Virginia Digital Maritime Center (VDMC) Faculty Publications

The foundry industry is seeking an ecological alternative to synthetic molding resins. This study evaluates the technological properties of core sands bonded with biodegradable polylactide (PLA). Cores prepared on a 2% quartz sand matrix were subjected to casting processes using two alloys with extremely different pouring temperatures: gray cast iron (approx. 1200 °C) and AK11 silumin (approx. 710 °C). The research methodology included macroscopic assessment, dimensional analysis using 3D scanning (GOM Inspect), and qualitative knock-out assessment supported by numerical temperature field simulation. The results showed that the high crystallization temperature of cast iron leads to complete thermal degradation of the …

Characterizing Heat Transfer Performance In A Slurry Bubble Column Reactor Equipped With A Real Heat Exchanger, Dalia S. Makki, Hasan Sh Majdi, Amer A. Abdulrahman, Abbas J. Sultan, Bashar J. Kadhim, Muthanna H. Al-Dahhan

Chemical and Biochemical Engineering Faculty Research & Creative Works

Abstract: This study examines the impact of equipping a real heat exchanger in a slurry bubble column SBC on instantaneous and local heat transfer coefficients IHTC and LHTC, as well as the overall heat transfer coefficient U, employing advanced heat transfer techniques. The experiments were conducted in a 0.15 m inner diameter Plexiglas SBC with varying gas flowrates Ug (0.14–0.35) m/s at several radial sites along the column's diameter (±0.18, ±0.46, and ± 0.74) and three axial locations (H/D = 2, 3 and 4). To simulate the industrial Fischer–Tropsch bubble column reactor FT-BCR, a real heat exchanger consisting of 18 …

Bayesian Networks For Safety-Critical Systems, Joseph Mietkiewicz

Theses

This thesis addresses a operational challenge in modern industrial operations: the increasing complexity of systems and the consequent cognitive burden on operators. As industrial technologies advance, the human-computer interface has become the primary conduit for information flow, playing a pivotal role in operational decision-making. However, the proliferation of data often leads to information overload, potentially compromising rather than enhancing operator performance. This research explores an approach to this pressing issue through the application of Bayesian networks as decision support systems in safety- critical scenarios. Our study employs a multi-faceted approach, combining theoretical modeling with empirical testing. Through collaboration with industry …

Investigations Of Conjugate Heat Transfer And Fluid Flow In Partitioned Porous Cavity Using Darcy-Forchheimer Model: Finite Element-Based Computations, Nasir Yasin, Shafee Ahmad, Muhammad Umair, Zahir Shah, Narcisa Vrinceanu, Ghadah Alhawael

Mathematics & Statistics Faculty Publications

The conjugate heat transfer and fluid flow has vast applications in thermal engineering, particularly for cooling in thermal devices, and automobile engines. This study investigates conjugate heat transfer in 2D enclosures, featuring thin solid fins attached to a porous bottom wall. The porous medium is considered isotropic and homogeneous by the Darcy-Forchheimer model, with fluid phases in local thermal equilibrium. The boundary conditions at the porous fluid interface ensure continuity of the velocities, stresses, temperature, and heat flux. The phenomenon is mathematically modelled by obtaining a set of partial differential equations. The finite element method (FEM) is used to perform …

Predicting Complex Di-Alkylation Kinetics Using Machine Learning, Colin Bailey, Thomas Roper

Graduate Research Posters

Background: Predicting reaction kinetics for complex chemical systems often presents significant challenges due to intricate reaction pathways, multiple product formations, and competing side reactions. Additionally, the transient nature of reaction intermediates and limited experimental data complicate efforts to capture system dynamics accurately. These complexities necessitate advanced modeling approaches and precise experimental techniques to reliably describe and predict chemical behavior.

Methods: This work investigates the kinetics of di-alkylation of 4-Hydroxybenzoic Acid (4-HBA) using multiple machine learning algorithms, including Random Forest Regression, Gradient Boosting, Lasso, Ridge, and XGBoost. By leveraging reaction conditions, such as temperature, sulfuric acid equivalents, and initial concentrations of …

Membrane Reactor Modeling And Optimization For Hydrogen Production, Ayooluwa Tomiwa Akintola

Graduate Theses, Dissertations, and Problem Reports (ETD)

There has been an ongoing trend toward cleaner fuels for more environmentally benign forms of energy generation. Recently, hydrogen has been identified as a clean fuel for energy generation. However, the most established, efficient, and widely utilized technique for producing hydrogen remains the steam methane reforming (SMR) in the presence of catalyst. Unlike other fossil fuels, utilizing methane from natural gas in an SMR process to produce hydrogen emits less, but yet a notable sum of carbon dioxide. Furthermore, the endothermic nature of SMR reactions imply that there is a high energy requirement to obtain a substantial amount of hydrogen …