Chemical Engineering Commons^™

Optimization Of Inverted Perovskite Solar Cells: Simulation Insights Into Nio And Mixed-Cation Integration For Enhanced Efficiency, Bo Yao, Hairul Mardiah Hamzah, Sharifah Fatmadiana Bt Wan Muhammad Hatta, Faiz Arith, Mohammad Nur-E-Alam, Mohammad Aminul Islam

Research outputs 2022 to 2026

Inverted perovskite solar cells are one of the most promising technologies for the next generation of photovoltaics, due to excellent stability and a relatively simple fabrication process. Nevertheless, attaining high efficiency remains a challenge in integrating appropriate materials for HTL and an absorber layer. This work focuses on SCAPS-1D simulations to optimize the design of inverted PSCs using NiO as the HTL and a mixed-cation perovskite, MA₀.₄FA₀.₆PbI₃, as an absorber. By employing a controlled variable method, the thickness of the absorber layer was optimized within the range of 300 nm to 900 nm. The optimal performance was achieved when the …

3d Printing Parameter Optimisation Combined With Heat Treatment For Achieving High Density And Enhanced Performance In Refractory High-Entropy Alloys, Deyu Jiang, Miao Luo, Changxi Liu, Yashuo Zhang, Lai Chang Zhang, Kuaishe Wang, Wen Wang, Lechun Xie, Liqiang Wang, Weijie Lu, Di Zhang

Research outputs 2022 to 2026

In this study, a Ti1.5Nb1Ta0.5Zr1Mo0.5 (TNTZM) high-entropy alloy was fabricated using laser powder bed fusion (LPBF). By integrating 63 sets of parameter trials with machine learning (ML) models, an optimised process window was identified, achieving a density of up to 99.9%. The combination of relatively high laser power and low scanning speed resulted in the formation of a stable cellular structure. Subsequent heat treatments at 700, 850, and 1000°C showed that while small-angle misorientations developed at cell-wall interfaces and medium-entropy (Ti–Zr–Mo) second-phase particles precipitated preferentially in the cell walls, the overall cellular architecture remained intact. Mechanical testing showed that these …

Smart And Sustainable Regeneration Of Fouled Desalination Membranes Using Artificial Intelligence, Muhammad Mubashir, Mustakeem Mustakeem, Ammar Alnumani, Abdulrahman Abutaleb, Ali Hamoud Naji Sumayli, Tausif Ahmad, Muhammad Rizwan Azhar

Research outputs 2022 to 2026

During the desalination process, scaling, fouling, and degradation are associated issues that lead to a drop in the separation performance of membranes. Membrane regeneration emerges as a critical technology in which upcycling and downcycling can offer a promising avenue for promoting sustainable membrane lifecycle management. Multiple research papers and reviews have critically analyzed the regeneration of membranes, which explains the end-of-cycle assessment and cost analysis of membrane recycling. However, challenges associated with the conventional and innovative regeneration processes are not yet analyzed. The potential impact of artificial intelligence (AI) on membrane regeneration is not explained in the literature. This review …

Exploration On Mechanical Response Mechanism Of Laser Melting Deposited Tibw/Ti–6al–4v Via In Situ Characterisation Technology, Yaya Wu, Anan Guo, Jianqiang Yuan, Lin Zhang, Yan Wen, Lin Hua, Lai Chang Zhang, Lechun Xie

Research outputs 2022 to 2026

The processing parameters of laser melting deposition (LMD) can significantly influence the microstructure and properties of LMD components. Herein, we manufactured TiBw/Ti–6Al–4V titanium matrix composite (TMC) using LMD, aiming to obtain the optimal preparation parameters. The electrical resistivity of the TMC first decreased and then increased, which was related to the microstructural evolution. TiBw network was formed in the matrix during LMD, indicating the in situ reaction of TiB2 during LMD. The reinforcement TiBw was tended to precipitate preferentially during solidification. In situ tensile experiments indicated that LMD TiBw/Ti–6Al–4V exhibited an ultimate strength of 1314 MPa and a plastic strain …

Improved Strength And Corrosion Resistance Of Ti–50zr Alloy Through Heat Treatment, Yuhua Li, Qian Zhang, Rong Zhao, Haojie Wang, Yujing Liu, Zibo Zhao, Chengliang Yang, Lai Chang Zhang

Research outputs 2022 to 2026

This work systematically analyzes the effects of heat treatment on the mechanical properties and corrosion behavior of Ti-50Zr alloy produced via vacuum arc melting. Microstructural characterization demonstrates that the microstructure of Ti–50Zr transforms from coarse lamellar α phase in as-cast condition to fine and uniformly distributes acicular α′ phase in heat-treatment state. The tensile strength, yield strength, and microhardness are significantly improved. This strengthening effect can be attributed to grain refinement and increase in dislocation density induced by heat treatment. Furthermore, the heat-treated Ti–50Zr exhibits lower corrosion current density and higher passive film resistance, suggesting a notable improvement in corrosion …

Zirconium-Based Amphoteric Metal–Organic Framework Membrane For Blue Energy Harvesting, Rockson Kwesi Tonnah, Milton Chai, Mohammad Khedri, Milad Razbin, Yasaman Boroumand, Reza Maleki, Huan Xiao, Amir Razmjou, Mohsen Asadnia

Research outputs 2022 to 2026

Salination of solutions of salinity gradient releases large-scale clean and renewable energy, which can be directly and efficiently transformed into electrical energy using ion-selective nanofluidic channel membranes. However, conventional ion-selective membranes are typically either cation- or anion-selective. A pH-switchable system capable of dual cation and anion transport along with salt gradient energy harvesting properties has not been demonstrated in ion-selective membranes. Here, we constructed an amphoteric heterolayer metal–organic framework (MOF) membrane with subnanochannels modified with carboxylic and amino functional groups. The amphoteric MOF-composite membrane, AAO/aUiO-66-(COOH)2/UiO-66-NH2, exhibits pH-tuneable ion conduction and achieves osmotic energy conversion of 7.4 and 5.7 W/m^{2 …}

Development And Characterization Of Sustainable Coal–Biomass Briquettes Of Sub-Bituminous Coal And Levistona Chinensis Biomass, Amad Ullah Khan, Borhen Louhichi, Muhammad Abas, Muhammad Saleem, Nashmi H. Alrasheedi, Farida Anjum, Aamer Sharif

Research outputs 2022 to 2026

The increasing demand for sustainable energy solutions has driven the exploration of alternative fuels, such as coal–biomass briquettes, which combine the benefits of both coal and renewable biomass sources. This study focuses on the development and characterization of sustainable coal–biomass briquettes made from sub-bituminous coal (SubC) and Levistona chinensis seed biomass, with the aim of reducing environmental impact and enhancing combustion properties. Briquettes were produced by varying the coal-to-biomass ratios (90:0–0:90), with 10% corn starch used as a binder. Proximate analysis revealed that increasing biomass content raised moisture (5.85%–14.25%) and volatile matter (VM; 24.75%–32.5%), while reducing ash (15.75%–3.39%) and fixed …

3d Engineered Scaffolds Of Conjugated Polymers/Metal Organic Frameworks For Biomedical Applications, Amin Hosseini Sharifabad, Roham Ghanbari, Mohammad Reza Saeb, Ehsan Nazarzadeh Zare, Filippo Rossi, Mehdi Salami-Kalajahi, Pooyan Makvandi

Research outputs 2022 to 2026

The extracellular matrix can be replicated by 3D scaffolds, providing a favorable environment for cell growth, proliferation, and differentiation. Despite their biocompatibility, biodegradability, and bioactivity, the poor mechanical strength of 3D scaffolds limits their use for heavy loads. This creates a bottleneck in the supply of scaffolds with enhanced mechanical strength and all the previously mentioned characteristics. Conjugated polymers have emerged as a promising option for 3D scaffold construction due to their electrical conductivity, adjustable surface qualities, and ability to transfer bioactive molecules. Moreover, metal-organic frameworks (MOFs) are a rapidly emerging class of nanomaterials due to their uniform porosity, excellent …

Corrosion Behavior Of Niti Alloys Fabricated By Laser Powder Bed Fusion In Relation To The Formed Passive Films In Hank's Solution, Yi Fan Zhang, Liang Yu Chen, Yong Liu, Hong Yu Yang, Jin Hua Peng, Chuanbo Zheng, Lina Zhang, Lai Chang Zhang

Research outputs 2022 to 2026

Laser powder bed fusion (L-PBF) produced NiTi alloys have significant potential in biomedical applications. Varying the parameters of the L-PBF process may result in the NiTi alloys with different ratios of B2 and B19′ phases, thereby, the different corrosion performance in the human body. However, a dearth of research efforts remains dedicated to resolving this issue. This work employed three different but comparable sets of parameters in the L-PBF process to produce NiTi alloys with different ratios of B2 and B19′ phases. The corrosion behavior of samples in Hank's solutions with the addition of lactic acid and their evolution of …

Mxene Based Composite Phase Change Materials For Thermal Energy Storage Applications: Featuring Bio-Mimic Approaches, Md Shahriar Mohtasim, Barun K. Das

Research outputs 2022 to 2026

Phase change materials (PCMs) are widely used in thermal energy storage systems, but their underlying drawbacks, such as poor heat conductivity and phase transition leakage, make them unsuitable for widespread use. MXenes have received a lot of curiosity due to having extraordinary mechanical properties, high electrical conductivity, and unique layered structure. Owing to the exquisite arrangements, numerous unique biomimetic morphologies have drawn attention. Numerous investigations regarding bio-mimic MXene/PCM composites (BMX-CPCMs) have found improvements in latent heat up to 106.50 % on average, along with excellent thermal stability with no matrix leakage in 500 cycles and an upsurge in thermal conductivity …

Photo-Thermal Conversion Properties Of Hybrid Nh2-Mil-125/Tin/Eg Nanofluids For Solar Energy Harvesting, Seyedeh Zahra Haeri, Mehdi Khiadani, Bahram Ramezanzadeh, Hamed Kariman, Masoumeh Zargar

Research outputs 2022 to 2026

Nanofluids, engineered by dispersing nanoparticles into base fluids, have demonstrated significant potential in enhancing the performance of solar collectors. Their superior thermal conductivity and improved heat transfer properties lead to more efficient energy absorption and utilization in solar thermal systems. This study comprehensively investigated and compared the performance of ethylene glycol (EG)-based NH2-MIL-125/TiN (MIL/TiN) composite nanofluids, fabricated by a two-step method, with single-component nanofluids in photothermal utilization. The results illustrated that incorporating NH2-MIL-125 (MIL) nanoparticles enhances the stability of TiN nanofluids in EG. Additionally, the thermal conductivity and optical absorption properties of the hybrid nanofluids exhibited a positive correlation with …

Advances, Limitations, And Future Perspectives In 3d Printing Of Porous Glasses: A Technical Note, Hamed Bakhtiari, Mostafa Omidi Bidgoli, Mohammad Hosseini

Research outputs 2022 to 2026

In this study, the latest developments in 3D printing of porous glasses are discussed. Current challenges in 3D printing of porous-based microfluidic devices mostly include the printing resolution which is correlated with the processing time, post treating, and developing tailored materials for porous glasses. Although the latter issue has been resolved to some extent recently, the former has remained a challenge. Currently, the smallest 3D printed feature in a microfluidic structure is 200µm while higher resolutions are required in some applications. On the other hand, previous reports have shown intensive printing time for higher resolutions. To achieve an optimal compromise, …

Computational Modeling Of The Heat Treatment Of White Oak Bound For Spirit Maturation, Kate E. Mclarney-Popham

Theses and Dissertations--Chemical and Materials Engineering

Maturation of distilled spirits in white oak barrels is a long standing practice known to have great impact on spirit character. Much of this impact can be controlled by the thermal modification of the barrel, since thermal degradation of the wood determines what wood compounds are available to interact with the spirit during maturation. In this work, a computational model for the thermal degradation of wood was developed and, with flavor compound data from literature, was used to investigate the effect of heat treatment on lignin-derived flavor compounds. The computational model in this work accounted for three solid species, three …

The Optimization And Manufacturing Scale-Up Of Polymeric Membranes Using Eco-Friendly Solvents, David Lu

Theses and Dissertations--Chemical and Materials Engineering

Polymeric membranes have become a prominent technology applied in water filtration due to the lower cost, energy input, and simpler manufacturing process relative to other separation technologies. However, the environmental impact of polymeric membrane fabrication remains a hindrance due to the use of hazardous solvents derived from fossil fuels (e.g., DMAc, NMP, DMF) that pose a risk to the environment and human health. Whereas recent studies have demonstrated the proof-of-concept of polymeric membrane derived from eco-friendly solvents, the next steps of optimizing and upscaling the production of these membranes remains understudied and a gap between lab-scale studies and the path …

Ion Hydration In Bulk And Nanoconfined Water: Insights From Machine Learning Force Fields, Zachary D. Baker

Theses and Dissertations--Chemical and Materials Engineering

Understanding ionic hydration remains a central challenge in physical chemistry and materials science, as the interactions between ions and water molecules govern diverse phenomena ranging from electrolyte transport to selective ion separation. While experimental techniques have provided invaluable insights into solvation energetics and coordination numbers, they often lack atomistic resolution, particularly under nanoscale confinement where direct measurement becomes infeasible. Molecular dynamics (MD) simulations can bridge this gap; however, conventional classical force fields are limited by their simplified, fixed functional forms and empirical parameterization, whereas ab initio molecular dynamics (AIMD) achieves higher accuracy at the expense of severe computational cost and …

Understanding The Influence Of Applied Magnetic Field On Aluminum Alloys: Implications On Strength, Precipitate Development And Diffusion Of Solutes, Damilola David Alewi

Theses and Dissertations--Chemical and Materials Engineering

The processing of certain metals and alloys under magnetic fields presents a promising yet underexplored frontier for controlling microstructure alongside improving physical and mechanical properties. Magnetic fields can be strategically applied at different stages of materials processing, from melting and solidification to subsequent heat treatments to achieve targeted properties in materials. Although magnetic fields have been found to aid changes in microstructural evolution and phase equilibria in ferrous materials, there is limited application of this technique in non-ferrous material systems. This dissertation aims at contributing to the understanding of the influence of magnetic field on the mechanical properties and solid-state …

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 …

Development, Synthesis And Characterization Of Advanced Low- Cobalt And High-Nickel Cathode Materials For Lithium-Ion Batteries, Arjun Patel

Theses and Dissertations

This dissertation focuses on the improvement of structural and electrochemical stability of active materials for lithium-ion batteries. It explores the modification strategies to mitigate the issues related to Ni-rich cathode materials, along with the continuous production of cathode precursors using a slug flow reactor to improve the quality of the product.

The First part of the dissertation examines the effect of substitution of cobalt with aluminum and iron on the electrochemical stability of Ni-rich lithium nickel cobalt manganese oxide (NCM) materials. This study investigates how Al and Fe doping work and how they impact the performance and stability of these …

Catalytic Deoxygenation Of Oleaginous Biomass To Renewable Diesel And Sustainable Aviation Fuel Via Decarboxylation/Decarbonylation, Chukwudalu Great Umenweke

Theses and Dissertations--Chemistry

Several technologies have been developed to produce hydrocarbon biofuels – renewable diesel (RD) and sustainable aviation fuel (SAF) – from fats, oils, and greases (FOG), with the hydroprocessing of esters and fatty acids (HEFA) representing one of the most mature pathways. In its current form, HEFA is mainly reliant on the hydrodeoxygenation (HDO) reaction, which has several drawbacks since HDO requires large amounts and pressures of hydrogen, feedstocks of high purity and cost, as well as problematic sulfided catalysts that risk contaminating the biofuel product with sulfur. A process based on decarboxylation/decarbonylation (deCO_x) offers an attractive alternative to …

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 …