Engineering Commons^™

A New Interpretation Of The √7×√7 R19.1° Structure For P Adsorbed On A Ni(111) Surface, Elizabeth Barrow, Grant S. Seuser, Hiroko Ariga-Miwa, Donna A. Chen, Jochen A. Lauterbach, Kiyotaka Asakura

Faculty Publications

We have studied P adsorption on Ni(111), a system which shows complex adsorbate structures. We determined the phase diagram of the surface P adsorbed on Ni(111). At low coverage, amorphous P was observed. At temperatures between 373 and 673 K and coverages above 0.1 monolayer, we found a √7×√7 R19.1° structure, but above 673 K, other complex structures were created. These structures seemed to correlate with each other and we reinterpret a √7×√7 R19.1° structure of P adsorbed on Ni(111) based on the similarities of these surface structures. The new rectangular structure for the √7×√7 19.1° is discussed in relation …

A New Interpretation Of The √7×√7 R19.1° Structure For P Adsorbed On A Ni(111) Surface, Elizabeth Barrow, Grant S. Seuser, Hiroko Ariga-Miwa, Donna A. Chen, Jochen A. Lauterbach, Kiyotaka Asakura

Faculty Publications

We have studied P adsorption on Ni(111), a system which shows complex adsorbate structures. We determined the phase diagram of the surface P adsorbed on Ni(111). At low coverage, amorphous P was observed. At temperatures between 373 and 673 K and coverages above 0.1 monolayer, we found a √7×√7 R19.1° structure, but above 673 K, other complex structures were created. These structures seemed to correlate with each other and we reinterpret a √7×√7 R19.1° structure of P adsorbed on Ni(111) based on the similarities of these surface structures. The new rectangular structure for the √7×√7 19.1° is discussed in relation …

Gasification Of Pelletized Corn Residues With Oxygen Enriched Air And Steam, Poramate Sittisun, Nakorn Tippayawong, Sirivatch Shimpalee

Faculty Publications

This work studied generation of producer gas using oxygen-enriched air and steam mixture as gasifying medium. Corn residues consisting of cobs and stover were used as biomass feedstock. Both corn residues were pelletized and gasified separately with normal air, oxygen enriched air and steam mixture in a fixed bed reactor. Effects of oxygen concentration in enriched air (21-50%), equivalence ratio (0.15-0.35), and steam to biomass ratio (0-0.8) on the yield of product gas, the combustible gas composition such as H2, CO, and CH4, the lower heating value (LHV), and the gasification efficiency were investigated. It was found that the decrease …

Comprehensive Second-Order Adjoint Sensitivity Analysis Methodology (2nd-Asam) Applied To A Subcritical Experimental Reactor Physics Benchmark: Iii. Effects Of Imprecisely Known Microscopic Fission Cross Sections And Average Number Of Neutrons Per Fission, Dan Gaberiel Cacuci, Ruixian Fang, J. A. Favorite, M. C. Badea, F. Di Rocco

Faculty Publications

The Second-Order Adjoint Sensitivity Analysis Methodology (2nd-ASAM) is applied to compute the first-order and second-order sensitivities of the leakage response of a polyethylene-reflected plutonium (PERP) experimental system with respect to the following nuclear data: Group-averaged isotopic microscopic fission cross sections, mixed fission/total, fission/scattering cross sections, average number of neutrons per fission (), mixed /total cross sections, /scattering cross sections, and /fission cross sections. The numerical results obtained indicate that the 1st-order relative sensitivities for these nuclear data are smaller than the 1st-order sensitivities of the PERP leakage response with respect to the total cross sections but are larger than those …

Upcycling Single-Use Polyethylene Into High-Quality Liquid Products, Gokhan Celik, Robert M. Kennedy, Ryan A. Hackler, Magali Ferrandon, Akalanka Tennakoon, Smita Patnaik, Anne M. Lapointe, Salai Ammal, Andreas Heyden, Frédéric A. Perras, Marek Pruski, Susannah L. Scott, Kenneth R. Poeppelmeier, Aaron D. Sadow, Massimiliano Delferro

Faculty Publications

Our civilization relies on synthetic polymers for all aspects of modern life; yet, inefficient recycling and extremely slow environmental degradation of plastics are causing increasing concern about their widespread use. After a single use, many of these materials are currently treated as waste, underutilizing their inherent chemical and energy value. In this study, energy-rich polyethylene (PE) macromolecules are catalytically transformed into value-added products by hydrogenolysis using well-dispersed Pt nanoparticles (NPs) supported on SrTiO3 perovskite nanocuboids by atomic layer deposition. Pt/SrTiO3 completely converts PE (Mn = 8000− 158,000 Da) or a single-use plastic bag (Mn = 31,000 Da) into high-quality liquid …

Quantifying And Elucidating The Effect Of Co2 On The Thermodynamics, Kinetics And Charge Transport Of Aemfcs, Yiwei Zheng

Theses and Dissertations

Anion exchange membrane fuel cells (AEMFCs) have shown significant promise to provide clean, sustainable energy for grid and transportation applications – and at a lower theoretical cost than more established proton exchange membrane fuel cells (PEMFCs). Adding to the excitement around AEMFCs is the extremely high peak power that can now be obtained (> 3 W cm-2) and continuously improving durability (1000+ h), which has made the future deployment of AEMFCs in real-world applications a serious consideration. For some applications (e.g. automotive), the most critical remaining practical issue with AEMFCs is understanding and mitigating the effects of atmospheric CO2 (in …

Discovery Of Materials Through Applied Machine Learning, Travis Williams

Theses and Dissertations

Advances in artificial intelligence technology, specifically machine learning, have cre- ated opportunities in the material sciences to accelerate material discovery and gain fundamental understanding of the interaction between certain the constituent ele- ments of a material and the properties expressed by that material. Application of machine learning to experimental materials discovery is slow due to the monetary and temporal cost of experimental data, but parallel techniques such as continuous com- positional gradients or high-throughput characterization setups are capable of gener- ating larger amounts of data than the typical experimental process, and therefore are suitable for combination with machine learning. A …

Molecular Modeling Of Tethered Polyelectrolytes For Novel Biomedical Applications, Merina Jahan

Theses and Dissertations

Current research trends throughout the world focus on designing intelligent materi- als and systems for diverse applications in all courses of life. Biomaterials research encompasses a major part in this revolution due to the increased effort in fulfilling unmet medical needs to treat complex physiological and neurodegenerative disorders. Polymers play inevitable roles in these research endeavors for their ubiquitous pres- ence in biological systems. Therefore, it is crucial to understand how the polymeric molecules interact within diverse biological environments, to efficiently engineer them for various drug delivery and biosensing systems. The use of experimental design and selection of different polymers …

Enabling High Energy Density Aluminum Anodes For Alkaline Batteries, Xinyi Zhao

Theses and Dissertations

Zn-MnO₂ primary alkaline batteries stood out immediately among all batteries after it was introduced in the late 1980s and has attracted world-wide attention. These batteries have dominated the portable power market for decades as a highly effective energy storage system with high energy density, long life and low self-discharge, dependable safety and other superiorities.

In order to achieve higher cell-level energy density, Aluminum has long been considered a very attractive anode material for alkaline batteries because of its high theoretical capacity (2980 mAh/g; 2.60 Ah/cm³) and low price. However, some early efforts to utilize aluminum anodes did …

Flame Spray Pyrolysis Of Ce-Mn Solid Solutions For Catalytic Applications, Nicole Cordonnier

Theses and Dissertations

Flame spray pyrolysis (FSP) is a method of quickly synthesizing active particles in a flame. Precursors are dissolved in a flammable organic solvent before being sprayed into the flame environment where they rapidly burn. Particle formation occurs on the order of 10 milliseconds. FSP has been shown to be a viable method of producing materials on an industrial scale, capable of producing grams of particles per minute. Metastable structures which exist in the liquid phase, but are difficult to synthesize using traditional impregnation methods can be formed with FSP due to fast quenching times. For example, solid solutions of Ce-Zr …

Liquid Phase Modeling In Heterogeneous Catalysis, Mohammad Shamsus Saleheen

Theses and Dissertations

Conversion of lignocellulosic biomass into transportation fuels or commodity and specialty chemicals will be an important and fast-growing industry within the United States over the coming decades. Its growth will be driven by a variety of factors, including increased energy demands, environmental considerations, national security, and government mandates. To achieve the desired energy efficiency and economic impact, the emerging biorefining industries need novel heterogeneous catalysts with exceptional activity, selectivity, and stability. Catalytic materials developed in the petrochemical industries are generally not suitable for processing highly functionalized feedstocks typical of the biorefinery landscape. Due to the characteristics of this biomass feedstock …

Challenges For Natural Hydrogels In Tissue Engineering, Esmaiel Jabbari

Faculty Publications

Protein-based biopolymers derived from natural tissues possess a hierarchical structure in their native state. Strongly solvating, reducing and stabilizing agents, as well as heat, pressure, and enzymes are used to isolate protein-based biopolymers from their natural tissue, solubilize them in aqueous solution and convert them into injectable or preformed hydrogels for applications in tissue engineering and regenerative medicine. This review aims to highlight the need to investigate the nano-/micro-structure of hydrogels derived from the extracellular matrix proteins of natural tissues. Future work should focus on identifying the nature of secondary, tertiary, and higher order structure formation in protein-based hydrogels derived …

Challenges For Natural Hydrogels In Tissue Engineering, Esmaiel Jabbari

Faculty Publications

Protein-based biopolymers derived from natural tissues possess a hierarchical structure in their native state. Strongly solvating, reducing and stabilizing agents, as well as heat, pressure, and enzymes are used to isolate protein-based biopolymers from their natural tissue, solubilize them in aqueous solution and convert them into injectable or preformed hydrogels for applications in tissue engineering and regenerative medicine. This review aims to highlight the need to investigate the nano-/micro-structure of hydrogels derived from the extracellular matrix proteins of natural tissues. Future work should focus on identifying the nature of secondary, tertiary, and higher order structure formation in protein-based hydrogels derived …

Challenges For Natural Hydrogels In Tissue Engineering, Esmaiel Jabbari

Faculty Publications

Protein-based biopolymers derived from natural tissues possess a hierarchical structure in their native state. Strongly solvating, reducing and stabilizing agents, as well as heat, pressure, and enzymes are used to isolate protein-based biopolymers from their natural tissue, solubilize them in aqueous solution and convert them into injectable or preformed hydrogels for applications in tissue engineering and regenerative medicine. This review aims to highlight the need to investigate the nano-/micro-structure of hydrogels derived from the extracellular matrix proteins of natural tissues. Future work should focus on identifying the nature of secondary, tertiary, and higher order structure formation in protein-based hydrogels derived …

Hypermongone C Accelerates Wound Healing Through The Modulation Of Inflammatory Factors And Promotion Of Fibroblast Migration, Sara E. Moghadam, Moridi Mahdi Farimani, Sara Soroury, Samad N. Ebrahimi, Ehsan Jabbarzadeh

Faculty Publications

The physiology of wound healing is dependent on the crosstalk between inflammatory mediators and cellular components of skin regeneration including fibroblasts and endothelial cells. Therefore, strategies to promote healing must regulate this crosstalk to achieve maximum efficacy. In light of the remarkable potential of natural compounds to target multiple signaling mechanisms, this study aims to demonstrate the potential of hypermongone C, a polycyclic polyprenylated acylphloroglucinol (PPAP), to accelerate wound closure by concurrently enhancing fibroblast proliferation and migration, promoting angiogenesis, and suppressing pro-inflammatory cytokines. This compound belongs to a family of plants (Hypericum) that traditionally have been used to treat injuries. …

Hazard And Operability Analysis Of An Ethylene Oxide Production Plant, Samantha Ciricillo

Senior Theses

The purpose of this work was to evaluate potential hazards and failures as part of the design and economic analysis for a chemical plant that would produce 150,000 tons of ethylene oxide per year. The Hazard and Operability (HAZOP) method of analysis was used to accomplish this goal. This method of hazard analysis involves brainstorming potential errors in a system by examining each element of each process unit in full detail. This project was focused on the reactor unit because the reactor has several important parameters that could fail, resulting in safety issues within the system. Input for this analysis …

Process Design: Maleic Anhydride Unit, Valerie Kay, Jacqueline Phillips, Olivia Smithson

Senior Theses

Gamecock Chemical Company has proposed the construction of a maleic anhydride plant at its Houston refinery. The plant is to produce 40,000 metric tons per year of maleic anhydride from a mixture of excess butanes. This design team has been asked to produce a conceptual design, simulation, and profitability analysis for the proposed plant. The simulation software Aspen Plus by AspenTech was the primary software used to design the plant, and the CAPCOST program in Microsoft suite’s Excel was utilized for the economic review of the process.

Maleic anhydride is produced by the thermal oxidation of n-butane at an elevated …

Electrode Development And Electrocatalysts Design For Polymer Electrolyte Membrane Fuel Cells, Xiong Peng

Theses and Dissertations

Because of environmental issues and national conflicts caused by overuse of fossil fuels, there is a need to seek renewable ways to utilize energy. In the transportation sector, hydrogen-based polymer electrolyte membrane fuel cells, including proton exchange membrane fuel cells (PEMFCs) and anion exchange membrane fuel cells (AEMFCs), have been considered as a promising alternative to conventional combustion engines. However, the widespread commercialization of both PEMFCs and AEMFCs has been hindered by several factors, including cost and performance. In this thesis, a series of topics including electrode fabrication, electrocatalyst development for both PEMFCs and AEMFCs, as well as the water …

Heterogeneous Catalysis For The Upgrading Of Biomass Derived Chemicals Via Hydrodeoxygenation, Elizabeth Barrow

Theses and Dissertations

An important step in the upgrading of biomass derived chemicals is the removal of excess oxygen. The works reported here are focused on studying the heterogeneous catalysts that can be utilized for that upgrading through hydrodeoxygenation. This work begins with a discussion of the alkylation of short chain platform chemicals for chain growth and also demonstrates the proof of concept of combining alkylation and hydrodeoxygenation in a single step. Then, because of the promising nature of ReOx- Pd/CeO2 for selective hydrodeoxygenation, a detailed study of ReOx/CeO2 is presented. Finally, a new surface structure interpretation is presented for P/Ni(111) which could …

The Use Of Multi-Targeting Natural Products For The Treatment Of Cancer, Wesley Taylor

Theses and Dissertations

The paradigm shift in cancer treatments from traditional chemotherapeutics to targeted therapies has rapidly improved prognoses for patients for whom cancer was once a death sentence. This is especially true in the case of targeted immune therapies which activate the body’s own natural defense system to fight cancer. Despite these advances, however, cancer remains the second leading cause of death in the United States. The promise of targeted therapeutics has faced significant hurdles in providing effective cancer treatments, namely the limited percentage of susceptible cancers for each treatment, high cost burden, high toxicities, and significant risk of treatment induced resistance. …

Intelligent Machine Learning: Tailor-Making Macromolecules, Yousef Mohammadi, Mohammad Reza Saeb, Alexander Penlidis, Esmaiel Jabbari, Florian J. Stadler, Philippe Zinck, Krzysztof Matyjaszewski

Faculty Publications

Nowadays, polymer reaction engineers seek robust and effective tools to synthesize complex macromolecules with well-defined and desirable microstructural and architectural characteristics. Over the past few decades, several promising approaches, such as controlled living (co)polymerization systems and chain-shuttling reactions have been proposed and widely applied to synthesize rather complex macromolecules with controlled monomer sequences. Despite the unique potential of the newly developed techniques, tailor-making the microstructure of macromolecules by suggesting the most appropriate polymerization recipe still remains a very challenging task. In the current work, two versatile and powerful tools capable of effectively addressing the aforementioned questions have been proposed and …

Intelligent Machine Learning: Tailor-Making Macromolecules, Yousef Mohammadi, Mohammad Saeb, Alexander Penlidis, Esmaiel Jabbari, Florian J. Stadler, Philippe Zinck, Krzysztof Matyjaszewski

Faculty Publications

Nowadays, polymer reaction engineers seek robust and effective tools to synthesize complex macromolecules with well-defined and desirable microstructural and architectural characteristics. Over the past few decades, several promising approaches, such as controlled living (co)polymerization systems and chain-shuttling reactions have been proposed and widely applied to synthesize rather complex macromolecules with controlled monomer sequences. Despite the unique potential of the newly developed techniques, tailor-making the microstructure of macromolecules by suggesting the most appropriate polymerization recipe still remains a very challenging task. In the current work, two versatile and powerful tools capable of effectively addressing the aforementioned questions have been proposed and …

Intelligent Machine Learning: Tailor-Making Macromolecules, Yousef Mohammadi, Mohammad Reza Saeb, Alexander Penlidis, Esmaiel Jabbari, Florian J. Stadler, Philippe Zinck, Krzysztof Matyjaszewski

Faculty Publications

Nowadays, polymer reaction engineers seek robust and effective tools to synthesize complex macromolecules with well-defined and desirable microstructural and architectural characteristics. Over the past few decades, several promising approaches, such as controlled living (co)polymerization systems and chain-shuttling reactions have been proposed and widely applied to synthesize rather complex macromolecules with controlled monomer sequences. Despite the unique potential of the newly developed techniques, tailor-making the microstructure of macromolecules by suggesting the most appropriate polymerization recipe still remains a very challenging task. In the current work, two versatile and powerful tools capable of effectively addressing the aforementioned questions have been proposed and …

Material And Regenerative Properties Of An Osteon-Mimetic Cortical Bone-Like Scaffold, Danial Barati, Ozan Karaman, Seyedsina Moeinzadeh, Safaa Kader, Esmaiel Jabbari

Faculty Publications

The objective of this work was to fabricate a rigid, resorbable and osteoconductive scaffold by mimicking the hierarchical structure of the cortical bone. Aligned peptide-functionalize nanofiber microsheets were generated with calcium phosphate (CaP) content similar to that of the natural cortical bone. Next, the CaP-rich fibrous microsheets were wrapped around a microneedle to form a laminated microtube mimicking the structure of an osteon. Then, a set of the osteon-mimetic microtubes were assembled around a solid rod and the assembly was annealed to fuse the microtubes and form a shell. Next, an array of circular microholes were drilled on the outer …