Chemical Engineering Commons^™

Thermo-Kinetic Parameters Governing Decomposition Of Amino Acids: A Computational Study, Mubarak Taleb Alkwradi

Theses

Amino acid model compounds are important nitrogenated species that in various categories of biomass. These compounds exhibit unique fragmentation pathways because of their adjacent amino and hydroxyl groups. Comprehending the decomposition chemistry of amino acids is essential to reduce harmful nitrogen emissions during biomass thermal treatment. This research reports the kinetic and thermodynamic properties of amino acids, and sulfur-containing amino acid, based on accurate density functional theory calculations coupled with kinetic modelling. The first part of the thesis provides comprehensive thermochemical parameters for the complete set of amino acids in the gas phase. The optimized geometries of amino acid compounds …

Selective Production Of Levoglucosan (Lg) From Pyrolysis Of Date Pits And Its Catalytic Transformation Into Transportation Fuels, Ala Hamid Higazi

Theses

Levoglucosan (LG) or (1,6-anhydro-β-D-glucopyranose) signifies important sugar derivatives produces in appreciable quantities from thermochemical and biochemical degradation of biomass. It is often regarded as an important platform chemical for the synthesis of value-added products, most notably styrene and furans. The work in this thesis entails two broad aims; to produce LG from pyrolysis of date pits; and then convert the LG into transportation fuels through a hydrodeoxygenation (HDO) reaction. The particular choice of date pits stems from its local relative abundance as a waste biomass. Aiming to further improve the yield of levoglucosan yields from pyrolysis of date pits, pre-treatment …

Engineered Biomass-Derived Carbon Adsorbents For Targeted Contaminant Remediation From Aqueous Environments, Suraj Venkat Pochampally

UNLV Theses, Dissertations, Professional Papers, and Capstones

Porous carbon adsorbents like biochar (BC) are produced from waste biomasses like wood chips, animal litter, nut shells, dried grass, etc. to be used in a multitude of applications like gas capture, soil amendment, water treatment, electrode materials, etc. In water treatment, carbon-based adsorbents have been mainly used to physically or chemically adsorb contaminants depending on the adsorption mechanism. However, BCs in their raw state do not have the capability of absorbing high amounts of contaminants and need to be activated/ modified for the pore network to broaden and adsorb the contaminants with better efficiency.

The scope of this dissertation …

Numerical Investigations Of Sco2 Compressor Aerothermodynamics Using A Streamline Curvature Based Throughflow Method, Victor Quintanilla

UNLV Theses, Dissertations, Professional Papers, and Capstones

Supercritical carbon dioxide (sCO₂) has emerged as a promising working fluid for the Brayton power cycle, offering enhanced efficiency due to the high density and low viscosity of carbon dioxide (CO₂) near the critical point. A critical component of the sCO₂ Brayton cycle is the turbomachinery, namely the compressor, which significantly contributes to the efficiency enhancement in the sCO₂ Brayton cycle owing to reduced compression work requirements. Its primary function involves elevating the fluid's pressure, effectively priming it for the subsequent heat addition process from a thermal energy source. However, despite its advantages, challenges …

Capillary-Sealing Efficiency Of Mica-Proxy Caprock For Co2/H2 Geologic Storage In The Presence Of Organic Acids And Nanofluids, Amer Alanazi, Muhammad Ali, Mahmoud Mowafi, Saleh Bawazeer, Ziyad K K. Kaidar, Hussein Hoteit

Research outputs 2022 to 2026

Toward a diversified low-carbon future, the geological storage of carbon dioxide (CO2) and hydrogen (H2) is regarded as a key enabler for an industrial-scale implementation. However, many geological formations, such as depleted oil and gas reservoirs, can contain inherent traces of organic molecules that dramatically affect their storage capacities and caprock sealing efficiency. Hence, using the right analysis to accurately determine the caprock sealing efficiency and storage capacity in the presence of organics is crucial for a secure and safe storage process. This study analyzed the sealing potential of a proxy caprock (mica) by calculating the capillary entry pressure and …

Surface Antibody Changes Protein Corona Both In Human And Mouse Serum But Not Final Opsonization And Elimination Of Targeted Polymeric Nanoparticles, Sara Capolla, Federico Colombo, Luca De Maso, Prisca Mauro, Paolo Bertoncin, Thilo Kähne, Alexander Engler, Luis Núñez, Gustavo Larsen, Et Al.

Department of Chemical and Biomolecular Engineering: Faculty Publications

Background: Nanoparticles represent one of the most important innovations in the medical field. Among nanocarriers, polymeric nanoparticles (PNPs) attracted much attention due to their biodegradability, biocompatibility, and capacity to increase efficacy and safety of encapsulated drugs. Another important improvement in the use of nanoparticles as delivery systems is the conjugation of a targeting agent that enables the nanoparticles to accumulate in a specific tissue. Despite these advantages, the clinical translation of therapeutic approaches based on nanoparticles is prevented by their interactions with blood proteins. In fact, the so-formed protein corona (PC) drastically alters the biological identity of the particles. Adsorbed …

A Novel Renewable Energy Powered Zero Liquid Discharge Scheme For Ro Desalination Applications, Mamdouh A. Gadalla, Amr Abdel Fatah, Hany A. Elazab

Chemical and Biochemical Engineering Faculty Research & Creative Works

This work proposes a conceptual model for a Zero Liquid Discharge (ZLD) for Reverse Osmosis (RO) desalination. The model describes a Process Flow Diagram (PFD). The proposed process relies on an RO followed by electrolyser, solar evaporator and mixing tank. The water reject from the RO is split into three fractions, one to an electrolyser to produce H2, another to solar evaporator to produce fresh water, third is remixed with water from the evaporator to reduce the salinity of the RO feed. The hydrogen produced in the electrolyser is burned and its energy is stored using cement blocks. The evaporator …

Development Of Lignin-Based Copolymers And Polymer Blends, David Chem

Graduate Theses and Dissertations

Increasing industrial interest in reducing fossil fuels in virgin polymer production and incorporating bio-based polymeric materials has led researchers to explore the potential of utilizing plant-based polymers such as lignin. Chapter 1 of this thesis presents a comprehensive overview of copolymerization and blending techniques for lignin and synthetic polymers, emphasizing different types of modifications and copolymerization techniques as well as key parameters such as temperature, reaction time, pH level, and solution compositions. These valorization methods are directed towards the development of high-value lignin-based materials with properties well-suited for various commercial applications. Chapter 2 offers a fundamental exploration into the amination …

Enhancing Rubber (Hevea Brasiliensis) Seed Shell Biochar Through Acid-Base Modification For Effective Phenol Removal From Aqueous Environments, Oyinlola R. Obanla, Jamie A. Hestekin, Modupe E. Ojewumi, Imen Bousrih, Modupeoluwa C. Fawole

Chemical Engineering Faculty Publications and Presentations

This work encompasses using acid-base modified rubber seed shell biochar (RSSB) as an adsorption approach to eradicate phenol from aqueous mediums. Potassium hydroxide (KOH) was used pre-pyrolysis to modify the RSS, and hydrochloric acid (HCl) was used post-pyrolysis to modify the RSSB. The methodology was divided into three stages: RSS pretreatment, RSS base-modification and pyrolysis, and RSSB acid-modification and processing. Temperature, pH and several other factors were investigated for their impacts on the adsorbent, and optimal conditions were established at pH 6, 1.0 g of rubber seed shell biochar (RSSB), 50 mg/L initial concentration, 120 min contact time, and 30°C …

Assessing The Thermodynamic Potential Of Deep Eutectic Solvents In The Absorption Of Greenhouse Gases Through Computational Methods, Thomas Michael Quaid

Theses and Dissertations

Greenhouse gas (GHG) capture is a fundamental technology in the fight against climate change. Some species of devastating GHGs like fluorinated compounds are released directly to the air from industrial processes. Some GHGs are co-produced in sustainably derived biofuels which require absorptive upgrading. The development of more efficient, cost effective, and environmentally friendly methods of capturing GHG’s from pollutant sources and industrial streams is of utmost importance in the fight against climate change. Deep eutectic solvents have entered the separations stage as potential disruptors to conventional solvent choices for a variety of applications. Deep eutectic solvents (DES) are compounds of …

Assessing The Thermodynamic Potential Of Deep Eutectic Solvents In The Absorption Of Greenhouse Gases Through Computational Methods., Thomas Michael Quaid

Theses and Dissertations

Greenhouse gas (GHG) capture is a fundamental technology in the fight against climate change. Some species of devastating GHGs like fluorinated compounds are released directly to the air from industrial processes. Some GHGs are co-produced in sustainably derived biofuels which require absorptive upgrading. The development of more efficient, cost effective, and environmentally friendly methods of capturing GHG’s from pollutant sources and industrial streams is of utmost importance in the fight against climate change. Deep eutectic solvents have entered the separations stage as potential disruptors to conventional solvent choices for a variety of applications. Deep eutectic solvents (DES) are compounds of …

Computationally-Driven Insights Into The Ligand Environments Of Materials For Catalysis And Separations, Stephen Vicchio

All Dissertations

Designing new catalytic and sorption materials is necessary to limit global temperature rise below 1.5 ◦C by 2050, while also meeting global energy demands. Climate change and energy production are not mutually exclusive; global population growth has direct impacts on global energy demands and climate. In both catalysis and adsorption applications, new technologies are needed to address these challenges. Catalysis can provide alternate, low-energy routes for converting low-value gases into higher-value chemical commodities, thus altering our current energy production. Likewise, new sorption materials can capture previously emitted CO₂ from decades of energy production from fossil fuels, thus helping to …

Exploring Modalities Of Productivity And Critical Quality Attributes In Fed-Batch Chinese Hamster Ovary Cell Cultures, Stephanie Klaubert

All Dissertations

Chinese hamster ovary (CHO) cells are among the most commonly used mammalian cell lines for the production of recombinant therapeutic proteins due to ease of culturing and humanlike post-translational modification capabilities. However, when compared to microbial systems, CHO cell line growth and productivity is relatively low. As the demand for monoclonal antibody (mAb) treatments continues to rise, it is critical to explore modalities for improved growth and productivity in CHO cell cultures, with the goal of increased protein concentrations and maintained product quality. Though some mechanisms for improved productivity, including temperature and cell culture media formulations, are relatively well understood; …

Thermo-Kinetic Parameters Governing Decomposition Of Amino Acids: A Computational Study, Mubarak Taleb Alkwradi

Thesis/ Dissertation Defenses

Amino acid model compounds are important nitrogenated species that in various categories of biomass. These compounds exhibit unique fragmentation pathways because of their adjacent amino and hydroxyl groups. Comprehending the decomposition chemistry of amino acids is essential to reduce harmful nitrogen emissions during biomass thermal treatment. This research reports the kinetic and thermodynamic properties of amino acids, and sulfur-containing amino acid, based on accurate density functional theory calculations coupled with kinetic modelling. The first part of the thesis provides comprehensive thermochemical parameters for the complete set of amino acids in the gas phase. The optimized geometries of amino acid compounds …

Equation-Based And Data-Driven Modeling: Open-Source Software Current State And Future Directions, Lagrande Gunnell, Bethany Nicholson, John Hedengren

Faculty Publications

A review of current trends in scientific computing reveals a broad shift to open-source and higher-level programming languages such as Python and growing career opportunities over the next decade. Open-source modeling tools accelerate innovation in equation-based and data-driven applications. Significant resources have been deployed to develop data-driven tools (PyTorch, TensorFlow, Scikit-learn) from tech companies that rely on machine learning services to meet business needs while keeping the foundational tools open. Open-source equation-based tools such as Pyomo, CasADi, Gekko, and JuMP are also gaining momentum according to user community and development pace metrics. Integration of data-driven and principles-based tools is emerging. …

Constructing Carbon-Encapsulated Nifev-Based Electrocatalysts By Alkoxide-Based Self-Template Method For Oxygen Evolution Reaction, En-Hui Ma, Xu-Po Liu, Tao Shen, De-Li Wang

Journal of Electrochemistry

The development of green and sustainable water-splitting hydrogen production technology is beneficial to reducing the over-reliance on fossil fuels and realizing the strategic goal of "carbon neutral". As one of the half reactions for water splitting, oxygen evolution reaction has suffered the problems of sluggish four-electron transfer process and relatively slow reaction kinetics. Therefore, exploring efficient and stable catalysts for oxygen evolution reaction is of critical importance for water-splitting technology. Metal alkoxides are a series of compounds formed by the coordination function of metal ions with alcohol molecules. Metal alkoxides possess the double advantages of organic materials and inorganic materials, …

Investigating Bim Applications In Reducing Co2 Emissions In The Built Environment, Rua Ahmed Maali

Thesis/ Dissertation Defenses

Large amounts of CO2 are released into the atmosphere throughout the life cycle of a building starting from the production of materials and products, in the construction phase of the building itself, in the site setting, the renovations, the later rehabilitation, and up to the final demolition. Hence, this thesis aims to investigate the potential of using Building Information Modeling (BIM) in making informed decisions that can help in reducing CO2 emissions in the life cycle of built environment projects. This study has used a mixed method approach that include literature review, a case study and semistructured interviews. The literature …

Development Of Unsaturated Polyester Resin Mortar Utilizing Industrial Wastes, Fatema Ahmed Alahmed

Thesis/ Dissertation Defenses

In recent years, polymer mortar (PM) has played a crucial role in the modern construction industry. It is gaining recognition as an effective and quick repair material in construction applications because it has several benefits over traditional Portland cement concrete. Various types of polymer binders, such as unsaturated polyester resin (UPR), have been used in these materials owing to their low cost, excellent strength, high workability, and rapid curing. This study investigates the feasibility of reutilizing locally available waste in the production of UPR-based polymer mortar, which facilitates the development of mortars with less environmental impact. In this study, the …

The Effects Of Engineering Summer Camps On Middle And High School Students’ Engineering Interest And Identity Formation: A Multi-Methods Study, Timothy Robinson, Adam Kirn, Jenny Amos, Indira Chatterjee

Journal of Pre-College Engineering Education Research (J-PEER)

This multi-methods study explores changes in engineering interest and identity of middle and high school students (n = 79) attending introductory-level engineering summer camps at a large western land grant university. Middle school is a critical time when student interest, identity, and subsequently career choice begin to emerge and hence it is important that at this age students are given accurate information about engineering majors in college and future career opportunities in engineering. Data were collected over a period of two years in six summer camps. Three separate populations of middle and high school students participated in the summer …

Integration Of Algae And Biomass Processes To Synthesize Renewable Bioproducts For The Circular Economy, Jessica Martin

USF Tampa Graduate Theses and Dissertations

Rapid population growth and global industrialization have substantially heightened the demand for fossil-based fuels and products in various sectors of the global economy, including energy production, transportation fuels, and as raw materials for petrochemicals. The intense consumption of fossil fuels has caused immense environmental impacts, especially pertaining to carbon dioxide emissions. Shifting to renewable feedstocks (raw materials) is expected to reduce these emissions by lowering the carbon footprint of fuels and products compared to traditional fossil-derived alternatives. This transition aligns with the goal of creating a sustainable and circular economy, emphasizing efficient resource use, and reducing waste generation through recycling …