Zirconium Metal-Organic Cages: Synthetic Development Of Chromium-Functionalized Ligands, Jim P. Heller, Jonathan E. Pines, Miguel I. Gonzalez

Wetterhahn Science Symposium Posters

Metal-organic cages (MOCs) are a class of highly porous molecules composed of inorganic clusters bridged by highly tunable organic ligands. The synthesis and development of various ligands could allow for more selective and efficient catalysts. Specifically, Chromium-based homogeneous catalysts have recently been commercialized due to their high selectivity in the production of 1-hexene and 1-octene. This project aims to synthesize reusable heterogeneous catalysts composed of chromium-functionalized zirconium MOCs deposited on mesoporous supports.

The current focus of this project is to synthesize and purify the "SNS Ligand." This ligand can coordinate to chromium via its S—N—S moiety. This project specifically focuses …

The Effects Of Solutes On The Growth Of Crystals In Polycrystalline Ice ​, Roberto Nieto Jr, Chinazom Onubogu, Ian Baker

Wetterhahn Science Symposium Posters

The structure of sea ice (NaCl-doped water) differs from freshwater ice. In this project, we will be investigating how ice grows when doped with various solutes such as sodium chloride and sulfuric acid. There are two projects that were investigated. The first project consisted of finding the velocity of the ice growth of deionized water, saltwater, and water doped with sulfuric acid. The second project consisted of observing how the polycrystalline structure of ice differs between deionized water, saltwater, and water doped with sulfuric acid.

Ansys Discovery And Fluent Files For Modeling A Hydrocyclone With Scco2 And Coal Fly Ash, Isaiah Morones, Catherine Brewer

Chemical & Materials Engineering: Datasets

No abstract provided.

A Probabilistic Approach To Multiscale Simulation: Evaluating Machine-Learned Backmapping Models Of Diphenylalanine, Sage Paschall

2026 Research Poster Competition

Diphenylalanine (FF) has demonstrated the tendency to form several nanostructures, a subset of which are electrically conductive and have exciting potential applications in biotechnology and nanoelectronics. However, the exact mechanisms underlying this self-assembly process remain largely ambiguous. Atomistic-scale molecular dynamics (MD) simulations allow for the evaluation of atomic-level interactions crucial in understanding the driving thermodynamic forces behind self-assembly, but are too computationally expensive to span the necessary timescale to observe the self-assembly process in action. Coarse-grained (CG) models allow for simulation at the appropriate timescale but come at the cost of vital atomistic detail. It is therefore important to develop …

From Chemistry To Conscious Code: How Ai Is Shaping The Next Generation Of Sustainable Innovation, Shehan S. Makani

STEM for Success Showcase

In a world racing toward an uncertain future, we stand at the thrilling intersection of chemistry, artificial intelligence, and human resilience. For many of us in STEM, this is no longer just about mastering equations or coding algorithms - it’s about engineering the future itself. At NJIT, we are not just students and researchers - we are builders, thinkers, and dreamers. And the truth is, the world needs dreamers with tools now more than ever.

Smart Manufacturing In Chemicals, Shehan S. Makani

STEM for Success Showcase

The chemical and pharmaceutical manufacturing sectors are evolving toward intelligent, adaptive production systems. This white paper explores how AI-enabled machinery and connected equipment are transforming chemical process efficiency, product quality, and sustainability. Drawing from conceptual case studies at ChemRich USA and ChemeNova LLC, we propose a framework where AI models interface with real-time machine data from centrifuges, filters, reactors, and mixers to enhance formulation, reduce downtime, and enable on-demand customization. The result is a more agile, data-driven, and sustainable manufacturing paradigm.

Toxicity And Biodegradability Of Novel Boronium Vs Conventional Ammonium Based Anti Microbial Compounds In Wastewater Treatment Systems, Noor Shalan

Poster Presentations

Quaternary ammonium compounds (QACs) are highly effective as disinfectants, herbicides, and pesticides; thus, overuse causes elevated levels of residual toxicity in domestic and industrial wastewater. QACs can be toxic to essential bacteria breaking down pollutants in wastewater treatment plants (WWTPs) and can remain untreated in effluent, harming the environment, and contributing to antibiotic resistance, posing risks to human health. Novel boronium-based antimicrobial compounds have demonstrated efficacy in eliminating bacteria, fungi, and viruses. If the boronium compounds exhibit lower residual toxicity, they could offer a promising alternative to QACs. Because these compounds are still in development, their potential toxicity to the …

Binary Solid/Liquid Equilibrium Of Mixtures Of Thermally Robust Salts And Molecular Compounds For Use As Heat Transfer Fluids, Jared Ridge Mathews

Poster Presentations

Fossil fuels, contributors to climate change that may bear catastrophic consequences, power the entire world. The human species is almost entirely dependent on fossil fuels for energy, but other sources of renewable and environmentally friendly energy must be developed. Concentrated solar power (CSP) is a promising source of renewable energy with hampered potential—better heat transfer fluids (HTFs) are needed for it to be economically feasible. Currently, the HTFs in industrial use are predominantly either synthetic oils or nitrate-based molten salts. Synthetic oils are only stable up to 400 °C, and molten salts often have high melting temperatures, making them prone …

Computational Study Of The Separation Of Aromatic/Aliphatic Mixtures Using Ionic Liquids, Brian Seth Christa, Brooks D. Rabideau

Shelby Hall Graduate Research Forum Posters

Aromatic hydrocarbons are a valuable product in many industrial processes. Separating aromatic compounds from solutions of mixed hydrocarbons is notoriously expensive and inefficient, particularly in solutions with less than 20 wt% aromatics. Ionic liquids (ILs) are salts that remain liquid at room temperature and exhibit extremely promising properties such as negligible vapor pressure and high thermal stability. The tunable nature of ILs, arising from the interchangeability of ions, is a promising attribute for the use of ILs in difficult separation processes. This study involves the separation and adsorption between aromatic and aliphatic compounds with various ILs to study the selectivity …

Thermal Stability Analysis Of Aqueous Ionic Amines For Sustainable Co2 Capture, Li Hua Zang, Keegan Everitt, Kevin West, Brooks D. Rabideau, Breanna Dobyns, James Davis

Shelby Hall Graduate Research Forum Posters

In closed air cabin atmospheres such as those of spacecraft, CO₂ accumulation jeopardizes crew respiratory function and may gradually affect sensitive equipment, making effective air revitalization critical. Traditional CO₂ capture methods like monoethanolamine (MEA) efficiently capture CO₂ but suffer from high volatility, leading to solvent loss and unpleasant odor, as well as corrosion and degradation, requiring frequent replacement. These flaws demand eco-friendly, durable alternatives. This study addresses these limitations by exploring a series of aqueous ionic amines (AIAs), salts similar to MEA in CO₂ capture efficiency but with improved thermal stability—crucial for preventing degradation under high regeneration temperatures and prolonged …

Effect Of Pre-Adsorbed Species On High-Pressure Adsorption Of Methane In Zeolite 5a Using Grand Canonical Monte Carlo (Gcmc) Simulations, Kanhamardi Lao, Brooks D. Rabideau

Shelby Hall Graduate Research Forum Posters

Natural gas upgrading, which removes impurities from methane (CH4), is essential for industrial applications, including liquefied natural gas (LNG) production and power generation, as well as for residential use. Removing non-hydrocarbon impurities such as carbon dioxide (CO2), nitrogen (N2), and water vapor (H2O), among others, along with separating heavier hydrocarbon gases from raw natural gas, is required to achieve high- purity methane and prevent pipeline corrosion. Zeolite 5A is a microporous aluminosilicate material with a pore size of approximately 5 Å, containing sodium and calcium cations that balance the framework’s negative charge. Its structure offers high thermal stability and a …

Thermophysical Properties Of Aqueous Amine Salts For Closed Air Cabin Revitalization, Mahmud R. Yusuf, Isabela Flores, Ben Hines, Li Hua Zhang, Seth Christa, Brooks D. Rabideau, Kevin West, Breanna Dobyns, James Davis

Shelby Hall Graduate Research Forum Posters

Carbon dioxide (CO2) capture plays a crucial role in closed cabin air revitalization, however current CO2 capture technologies pose several issues. Traditional amine solutions, such as monoethanolamine, are commonly used in CO2 capture on the International Space Station but face drawbacks including high volatility, thermal degradation, and unpleasant odor. To overcome these challenges, amine salt solutions have emerged as promising alternatives. Amine salt solutions have reduced environmental impact, lower corrosion potential, and improved CO2 loading capacity, making them a more efficient and sustainable replacement. Knowing these physical properties are critical for modeling and optimizing a scrubbing process that employs these …

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 …

Method For Separating Individual Cathode-Active Materials From Li-Ion Batteries, Lei Pan, Tinuade Ololade Folayan, Jeffrey S. Spangenberger, Bryant J. Polzin

Michigan Tech Patents

Method of separating individual cathode active materials from a mixture of cathode active materials by froth flotation has been developed. They are based on using appropriate chemical reagents that selectively hydrophobize individual cathode active materials to be recovered, so that they can be collected by air bubbles used in flotation and separated from other mixtures. The chemical reagents are amphiphilic molecules with specialized head groups have a strong affinity to metal elements on surfaces of cathode materials. This method enables a separation of individual cathode active material from a mixture of cathode active materials.

Understanding Effective Elastic Properties And Stress-Strain Evolution In Composite Granular Rocks Using Discrete Element Modeling, Prasad Pothana, Fernando E. Garcia, Kegang Ling

Petroleum Engineering Posters and Presentations

The mechanical behavior of composite granular rocks is a multifaceted phenomenon relevant to various geoengineering applications. Traditional homogenization models and continuum mechanics-based numerical methods often fall short of accurately capturing the intricacies of granular materials. Granular materials exhibit heterogeneity and arching mechanisms governing the force networks that ensure system stability. Unlike continuum-based approaches, particulate discrete element methods have an advantage in assessing effective material properties by considering material heterogeneity and grain-level physical interactions. This study evaluates effective elastic properties using particle flow code using flat-joint contact law for composite binary mixtures with a stiff inclusion embedded within a matrix material. …

Salt Production Via Hydrohalite Decomposition, Timothy Eisele

Michigan Tech Patents

Salt production can include preparing hydrohalite particles by crystallization from saturated brine, adding the hydrohalite particles to the sale brine, thereby forming a hydrohalite-salt brine mixture, agitating the hydrohalite-salt brine mixture until the hydrohalite particles have decomposed into NaCl crystals, and filtering out the NaCl crystals from the salt brine. In some instances, an initial temperature of the salt brine prior to adding the hydrohalite particles is at least 0°C. In some instances, a ratio of salt brine to hydrohalite particles, by weight, is from 0.4 to 29.

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 …

Experimental Data Supporting Co2 Enhanced Oil Recovery And Storage Potential In The Bakken Petroleum System (Bps), University Of North Dakota. Energy And Environmental Research Center

EERC Brochures and Fact Sheets

Fact sheet on CO₂ enhanced oil recovery (EOR) in the Bakken petroleum system. Highlights experimental data concerning CO₂’s role in oil recovery in the region.

Comparing Fishbone Drilling And Hydraulic Fracturing In Ultra-Low Permeability Geothermal Reservoirs, Aimene Aihar, Nassim Bouabdallah, Ghoulem Ifrene, Doina Irofti

Petroleum Engineering Posters and Presentations

Harnessing geothermal energy through Enhanced Geothermal Systems (EGS) offers a sustainable and renewable means of tapping the Earth's subsurface heat. However, in ultra-low permeability formations like those found in the Williston Basin, the effectiveness of conventional hydraulic fracturing techniques is limited. This study evaluates the potential of fishbone drilling technology as an alternative approach, focusing on the efficiency and engineering aspects of both methods in the context of geothermal reservoirs with extremely low permeability.

We carried out an extensive literature review, numerical simulations, and case studies to compare fishbone drilling and hydraulic fracturing in EGS applications. Fishbone drilling, which involves …

Evaluation Of Hybrid Prediction Models For Accurate Rate Of Penetration (Rop) Prediction In Drilling Operations, Abdelhakim Khouissat, Mohamed Riad Youcefi, Ghoulem Ifrene, Doina Irofti

Petroleum Engineering Posters and Presentations

The precise prediction of the rate of penetration (ROP) is of utmost importance for optimizing drilling operations and minimizing costs while increasing efficiency. However, the complex and nonlinear nature of the drilling process can pose significant challenges in achieving accurate ROP predictions. To address this challenge, multiple hybrid prediction models have been developed, and their accuracy in ROP prediction has been compared.

To accomplish this objective, we created three different hybrid models, including Artificial Neural Network – Genetic Algorithm (ANN-GA), Artificial Neural Network-Particle Swarm Optimization (ANN-PSO), and Support Vector Regression (SVR) to estimate ROP. These models were trained and tested …

Exploring Underground Hydrogen Storage Options In North Dakota: A Review, Aimen Laalam, Olusegun Stanley Tomomewo

Petroleum Engineering Posters and Presentations

As the world shifts towards a low-carbon future, the demand for efficient, safe, and cost-effective energy storage solutions has become increasingly critical. Hydrogen has emerged as a promising energy carrier with numerous advantages, such as high energy density, zero emission combustion, and versatile applications. Nevertheless, the challenge of effective hydrogen storage remains. This study examines the potential of underground hydrogen storage (UHS) in North Dakota, assessing its opportunities and challenges in supporting the region's renewable energy objectives. North Dakota's unique geological features, abundant renewable energy resources, and growing energy demands make it an ideal location for UHS implementation. This review …

Advancing Our Understanding Of Non-Linear Flow Behavior In X-Crossing Fractures Through 3d Printing Technology, Ghoulem Ifrene, Sven Egenhoff, Doina Irofti, Nicholas Bittner, Tyler Newman

Petroleum Engineering Posters and Presentations

Fractured reservoir systems play a critical role in the efficient management of hydrocarbon resources, CO2 storage, and geothermal energy extraction. Understanding the behavior and characteristics of these systems is essential for optimizing recovery, reducing carbon footprint, and increasing efficiency. However, fractures within reservoir systems create complex geometries and can make fluid flow behavior complex and difficult to predict. Replicating these complex geometries in the laboratory has been challenging, but advancements in 3D printing technology have made it possible to create accurate models of rough-walled fracture geometries. In this study, the impact of geometric characteristics on fluid flow behavior in connected …

Beirut Arab University - Faculty Of Engineering - Newsletter Issue 0, Faculty Of Engineering, Beirut Arab University

Engineering Newsletters

No abstract provided.

Synthesis Of Novel Chiral Phosphorothioic Acid Organocatalysts And Application To Synthetic Methodology, Parsa Azaei

Undergraduate Research Symposium Posters

Much research efforts have been centered towards the synthesis of novel Bronsted acid catalysts. These organocatalyst enable synthesis of natural products, pharmaceuticals, and bioactive small molecules under toxic-metal-free conditions by donating their protons, while not being consumed in the reaction. Chiral phosphorothioic acid have significant potential as novel organocatalysts due to their high modifiability of chirality and acidity under environmentally friendly conditions; however, synthesis of these organocatalysts are far and in between. Therefore, our research aimed to i) synthesize novel phosphorothioic acid organocatalysts and ii) to apply these novel catalysts toward new methodology development.

Polymers And Composite Materials, Joshua P. Steimel

Pacific Open Texts

This text serves to cover in more detail polymer physics concepts and specifically how polymers respond from the atomistic to meter length scale. This text spans topics from polymerization chemistry, chain models, Flory-Huggins theory, viscosity, characterization techniques, self assembly, polymer dynamics, viscoelasticity, and mechanics of polymer and composite materials.

This work is licensed under a Creative Commons Attribution-NonCommerical-No Derivative Works 4.0 License.

Synthesis Of Uio-66 Metal Organic Frameworks, Nicholas Johnston, Larissa Lagria

Summer Community of Scholars Posters (RCEU and HCR Combined Programs)

No abstract provided.

Brownian Dynamics Of Interacting Anisotropic Magnetic Nanoparticles, Daniel Duke

Summer Community of Scholars Posters (RCEU and HCR Combined Programs)

No abstract provided.

Temporal Understanding Of The Conversion Of Normal Synovial Fibroblasts Into Osteoarthritic Fibroblasts, Danielle Mcdowell

Summer Community of Scholars Posters (RCEU and HCR Combined Programs)

No abstract provided.

The Effect Of Surface Topography On The Deposition Of Colloids, Mikhail Ramirez

Summer Community of Scholars Posters (RCEU and HCR Combined Programs)

No abstract provided.

The Critical Role Of Dynamic Surface Tension Of Surfactants On The Impact Dynamics Of Water Droplets, Amir Esmaeili, Reza Mohammadi

Graduate Research Posters

Due to their time-dependent surface tension, the addition of surface-active agents or surfactants to water for specific applications has made controlling the impact dynamics of these droplets a complex phenomenon. This work investigates the influence of the molecular weight, concentration, and ionic nature of the surfactants as well as the substrate surface characteristics on the impact dynamics of surfactant-laden droplets using a high-speed camera at 10000 frames per second. Sodium dodecyl sulfate, hexadecyltrimethylammonium bromide, and n-decanoyl-n-methylglucamine were used as anionic, cationic, and nonionic surfactants, respectively. We used hydrophilic glass slides, hydrophobic polytetrafluoroethylene, and superhydrophobic alkyl ketene dimer (AKD) as substrates. …