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Molecular Vibrations And Shape-Selectivity: A Computational Model Of Biofuel Precursors In Zeolites, Babgen Manookian 2022 University of Massachusetts Amherst

Molecular Vibrations And Shape-Selectivity: A Computational Model Of Biofuel Precursors In Zeolites, Babgen Manookian

Doctoral Dissertations

We have used Density Functional Theory (DFT) to model acyclic and cyclic olefins in acidic zeolites. We have studied the impact of host-guest interactions between adsorbed molecules and zeolite frameworks through the lens of molecular vibrations and shape-selectivity. This work considered three zeolite frameworks with varying pore structures and environments: large pore zeolite HMOR and medium pore zeolites HZSM-5 and HZSM-22. A key finding is that for acyclic olefins in acidic zeolites there exists two regimes of host-guest interaction: a strong interaction leading to protonation and a weak interaction between charged guest and zeolite framework. We found that these interactions ...


Functionalized Biochar Electrodes For Asymmetric Capacitive Deionization, Hellen Stephanie 2022 Mississippi State University

Functionalized Biochar Electrodes For Asymmetric Capacitive Deionization, Hellen Stephanie

Theses and Dissertations

Electrosorption-based capacitive deionization (CDI) has become a viable process for brackish water desalination and defluoridation. In this study, activated Douglas fir biochar is used as a low-cost electrode material with adsorption capacity comparable to activated carbon obtained from biomass precursors. Adding functional groups to the activated biochar enhanced salt removal capacity, providing cation and anion selectivity. The functionalized electrodes were prepared by Nafion, titanium isopropoxide, and p-phenylenediamine treatment, respectively, which introduced sulfonate, titanium dioxide and amine functional groups to the electrode surface. These modification methods are versatile and can be easily performed without sophisticated laboratory environment. Modified biochar electrodes ...


Real-Time Monitoring Of Paraquat Photodegradation Using Colloidal Gold Surface Enhanced Raman Spectroscopy, Nathan Wilson 2022 Western Kentucky University

Real-Time Monitoring Of Paraquat Photodegradation Using Colloidal Gold Surface Enhanced Raman Spectroscopy, Nathan Wilson

Masters Theses & Specialist Projects

Monitoring chemical reactions in aqueous solution is a challenge because most instrumental techniques either are not suited for the rapid timescales, are not sensitive enough to detect products at low concentrations, or do not have sufficient structure-to-spectrum relationships. Raman spectroscopy is a promising method to monitor reactions, as it is fast, dependent on chemical structure, and has little interference from water. However, Raman scattering is generally very weak. Surface-enhanced Raman spectroscopy (SERS) improves the signal strength of Raman spectroscopy by using a metal surface plasmon, or oscillation of the surface’s electrons, to allow for highly selective and sensitive detection ...


A Performance Evaluation Of Architectural Coatings To Preserve Aerosol Paint On Concrete, Riley Morris 2022 Clemson University

A Performance Evaluation Of Architectural Coatings To Preserve Aerosol Paint On Concrete, Riley Morris

All Theses

The growing movement of assigning cultural and heritage value to graffiti and street art is one without a preservation solution to ensure the longevity of these works in-situ in an outdoor environment. The goal of this thesis was to provide a comprehensive evaluation of six architectural topcoats’ performance when applied as a conservation treatment to outdoor aerosol graffiti and street art on concrete substrate. An artist’s quality, durable, color-fast spray-paint was applied to twenty-eight concrete test panels to mimic the application of graffiti or street art. Six topcoats, Prosoco SC-1, Prosoco Gloss n’ Guard WB, Keim Faceal Oleo HD ...


Valorization Of Biopolymers And Biomass To Produce Materials For A More Circular Economy, Moira Lauer 2022 Clemson University

Valorization Of Biopolymers And Biomass To Produce Materials For A More Circular Economy, Moira Lauer

All Dissertations

With a globally increasing population and largely unchecked consumption of raw materials, human society is on track for devastating consequences. Two industries responsible for utilizing massive amounts of raw materials and generating equally gargantuan quantities of waste are the packaging and infrastructure sectors. In 2017 in Europe, for example, packaging reached a record 173 kg of packaging waste per capita. One of the largest packaging consumers is the food industry, in which 40% of packaging is made of petroleum-derived single-use plastic, leading to a massive carbon imbalance. “The Built Environment,” on the other hand, is responsible for about 50% of ...


Optimization And Development Of Sodium-Based Electrolytes For Energy Storage Devices, Jameson L. Tyler 2022 University of Tennessee, Knoxville

Optimization And Development Of Sodium-Based Electrolytes For Energy Storage Devices, Jameson L. Tyler

Doctoral Dissertations

Energy storage devices have undergone development for decades. Much of the research is focused on the improvement of energy density by developing existing electrodes and investigating novel electrode materials. This has led to the overall improvement of traditional lithium-ion batteries, but also the discovery of new energy storage devices such sodium-ion batteries, redox flow batteries, solid electrolyte-based batteries, and many more. As the field expands, fundamental research is necessary to fully ascertain the validity of these novel systems for long term success. One of the most important components to all electrochemical energy storage devices such as batteries and supercapacitors is ...


Experimental Physical Chemistry Applications For Material Science: The Neutron Vibrational Spectrum Of Biaxially-Oriented Pet And Hkust-1 As A Qcm-Based Ethylene Sensor, Zachary D. Stroupe 2022 University of Tennessee, Knoxville

Experimental Physical Chemistry Applications For Material Science: The Neutron Vibrational Spectrum Of Biaxially-Oriented Pet And Hkust-1 As A Qcm-Based Ethylene Sensor, Zachary D. Stroupe

Doctoral Dissertations

This work is divided into two comprehensive subjects exploiting fundamental properties of physical chemistry to understand applied materials. The two subjects will be: the inelastic neutron scattering of thin polyethylene terephthalate (PET) films and the design and development of a quartz crystal microbalance-based ethylene detector. For the work involving the thin films, the inelastic neutron scattering (INS) was accomplished using the high flux of the VISION vibrational spectrometer at the Spallation Neutron Source yielding the highest quality data currently available. The torsional vibrational modes of biaxially-oriented PET (bPET) will be reported with the help of DFT calculations to aid in ...


Synthesis And Characterization Of A Novel Reaction-Based Azaborine Fluorescent Probe Capable Of Selectively Detect Carbon Monoxide Based On Palladium-Mediated Carbonylation Chemistry, Samuel Moore, Carl Jacky Saint-Louis 2022 Kennesaw State University

Synthesis And Characterization Of A Novel Reaction-Based Azaborine Fluorescent Probe Capable Of Selectively Detect Carbon Monoxide Based On Palladium-Mediated Carbonylation Chemistry, Samuel Moore, Carl Jacky Saint-Louis

Symposium of Student Scholars

Azaborines are fascinating compounds because they possess valuable properties such as photochemical stability, have high molar absorption coefficient and high fluorescent quantum yields, as well as large Stokes shifts and tunable absorption/emission spectra. Here, we designed, synthesized, and will examine a novel reaction-based azaborine fluorescent probe capable of selectively detect carbon monoxide (CO) based on palladium-mediated carbonylation chemistry. This novel azaborine fluorescent probe will exhibit high selectivity for CO and display a robust turn-on fluorescent response in the presence of CO in aqueous buffer solution.


Ketal-Azaborine Versus Ketal-Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Heteroaromatic Polycyclic Chromophores, Albert Campbell, Janiyah Riley, Samuel Moore, Albert Campbell 2022 Kennesaw State University

Ketal-Azaborine Versus Ketal-Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Heteroaromatic Polycyclic Chromophores, Albert Campbell, Janiyah Riley, Samuel Moore, Albert Campbell

Symposium of Student Scholars

Flat-structured heteroaromatic polycyclic compounds with extended conjugated π-systems such as azaborines are in high demand in the material and imaging technology markets because of their unique features such as simultaneous tunability of fluorescence color and intensity. We have designed, synthesized, and investigated a series of novel conjugated thermally stable ketal-azaborine chromophores that contain a phenyl ring as a spacer between electronic moieties and the ketal-azaborine core as easily tunable high-luminescent organic materials. We investigated the impact of the phenyl spacer on the ketal-azaborine unit. We examined the structural effects on their photophysical properties by incorporating electron –donating and –withdrawing substituents ...


Azaborine Versus Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Azaborine Chromophores, Kaia Ellis, Janiyah Riley, Lyric Gordon, Janiyah Riley 2022 Kennesaw State University

Azaborine Versus Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Azaborine Chromophores, Kaia Ellis, Janiyah Riley, Lyric Gordon, Janiyah Riley

Symposium of Student Scholars

Azaborines are fascinating compounds because of their valuable and interesting optical properties making them suitable to be utilized in many optoelectronic devices. We have designed, synthesized, and investigated a series of novel conjugated thermally stable azaborine chromophores by incorporating a phenyl ring as a spacer linking the chromophore to different electronic moieties as easily tunable high-luminescent organic materials. We investigated the effect of the phenyl spacer on the azaborine unit. The substituent effects of different electronic moieties were investigated by the insertion of electron –withdrawing and –donating moieties to the phenyl spacer. We examined the role of the electron –donating ...


Limits Of Detection Of Mycotoxins By Laminar Flow Strips: A Review, Xinyi Zhao, Hugh J. Byrne, Christine M. O’Connor, James Curtin, Furong Tian 2022 Technological University Dublin

Limits Of Detection Of Mycotoxins By Laminar Flow Strips: A Review, Xinyi Zhao, Hugh J. Byrne, Christine M. O’Connor, James Curtin, Furong Tian

Articles

Mycotoxins are secondary metabolic products of fungi. They are poisonous, carcinogenic, and mutagenic in nature and pose a serious health threat to both humans and animals, causing severe illnesses and even death. Rapid, simple and low-cost methods of detection of mycotoxins are of immense importance and in great demand in the food and beverage industry, as well as in agriculture and environmental monitoring, and, for this purpose, lateral flow immunochromatographic strips (ICSTs) have been widely used in food safety and environmental monitoring. The literature to date describing the development of ICSTs for the detection of different types of mycotoxins using ...


Towards Semiconductor Nanorods With Nickel/Iron Cocatalyst., Kehinde Ayorinde 2022 Western Kentucky University

Towards Semiconductor Nanorods With Nickel/Iron Cocatalyst., Kehinde Ayorinde

Masters Theses & Specialist Projects

The adverse effects associated with the utilization of fossil fuels has led to the need to provide an alternative cleaner energy. Photocatalytic hydrogen evolution reaction via water splitting provides a renewable pathway to generating energy. Our photocatalyst system includes a semiconductor component (CdSe/CdS core/shell nanorods) to capture light and an attached metal (cocatalyst) for the hydrogen evolution reaction. Platinum is an effective metal catalyst for this reaction due to strong proton binding energy that easily facilitates the reduction of water to produce hydrogen gas. However, due to the high cost of platinum, there is a need to find ...


Application Of Gellan Gum Biopolymer In Biomedical Applications: A Review, Norsyakirah Izzati Hishamuddin, Mohd Hasmizam Razali, Khairul Anuar Mat Amin 2022 Faculty of Science and Marine Environment, Universiti Malaysia Terengganu, Terengganu 21030, Malaysia

Application Of Gellan Gum Biopolymer In Biomedical Applications: A Review, Norsyakirah Izzati Hishamuddin, Mohd Hasmizam Razali, Khairul Anuar Mat Amin

Makara Journal of Science

Gellan gum (GG) has gained considerable attention in the food, chemical, and pharmaceutical industries due to its functional characteristics. It has versatile properties, such as water solubility, easy bio-fabrication, good film/hydrogel-formation, biodegradability, and biocompatibility. These properties render GG a promising material in biomedical applications, specifically in the development of wound dressing materials. In this review, the use of GG biopolymer as a wound dressing material was discussed. Various fillers, such as titanium dioxides, clay, drug, and honey, have been incorporated in GG to produce film, hydrogel, or scaffold materials. The effects of filler on the mechanical performance, physical properties ...


Synthesis Of Phosphonate-Based Diimide Ligands, Kenya V. Medina, Adelani Pius 2022 St. Mary's University

Synthesis Of Phosphonate-Based Diimide Ligands, Kenya V. Medina, Adelani Pius

St. Mary's University Honors Theses and Projects

There has been a resurged interest in the synthesis of metal-organic frameworks because of their potential applications in energy production and drug delivery. Although diimides are insoluble in aqueous solutions, the addition of phosphonic acid allows the complex to be water soluble, which greatly increases their application. Therefore, the creation of a hybrid metal-organic complex by the addition of phosphonic groups to diimide ligands can result in a polar porous compound. In this project the ligand design included the use of dianhydrides including pyromellitic dianhydride, naphthalenetetracarboxylic dianhydride, perylenetetracarboxylic dianhydride, and biphenyl-tetracarboxylic acid dianhydride. These dianhydride precursors were refluxed under argon ...


Discussion Of Materials Science Development Trend Through Climate Change, Manufacturing Update, National Security And Materials Genome Initiative, Weijian LIN, Bowen ZHANG, Weihua WANG 2022 Songshan Lake Materials Laboratory, Dongguan 523808, China Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China

Discussion Of Materials Science Development Trend Through Climate Change, Manufacturing Update, National Security And Materials Genome Initiative, Weijian Lin, Bowen Zhang, Weihua Wang

Bulletin of Chinese Academy of Sciences (Chinese Version)

New materials are considered as the foreguide and the base of the revolution of advanced technology. Its development and trend of new materials greatly influences the human life and society development. Nowadays, the risk of climate change is increasing day by day, the pressure of manufacturing update of new technology revolution is bigger than ever, the competition and the friction between countries become more and more intense, and the iteration of advanced materials turns to a rigid demand. In this work, we analyze and predict the development tread of material from the aspects of climate change, manufacturing update, national security ...


Development Strategy Of China’S Advanced Material Industry Cluster, Kun ZENG, Xiaopeng LI, Ziyun SHEN, Fan LIAO, Jinsong XIAO, Qingli HUANG 2022 China Center of Information Industry Development, Beijing 100846, China

Development Strategy Of China’S Advanced Material Industry Cluster, Kun Zeng, Xiaopeng Li, Ziyun Shen, Fan Liao, Jinsong Xiao, Qingli Huang

Bulletin of Chinese Academy of Sciences (Chinese Version)

The advanced material industry is a basic and strategic industry of the national economy, as well as the key area of global competition in technology industry. Under the dual-cycle development pattern, propelling the cluster development of advanced material industry has become a key to raise the level of the advanced material industry development. This article described the spatial distribution of the advanced material industry cluster in China, analyzed the characteristics and development stage of the advanced material industrial cluster, and compared the gap between the advanced material industry cluster in China and the world-class advanced manufacturing industry cluster. In addition ...


Development And Implication Of Amorphous Alloys, Weihua WANG 2022 Songshan Lake Materials Laboratory, Dongguan 523808, China Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China

Development And Implication Of Amorphous Alloys, Weihua Wang

Bulletin of Chinese Academy of Sciences (Chinese Version)

The development of metallic materials is closely correlated to the civilization of human being. Amorphous alloys with long-range disordered atomic microstructure, unique physical and mechanical properties, are advanced and novel metallic materials which have diverse industrial applications. Recently, the scientific research, new system development, and industry applications of the structural disordered alloys such as amorphous alloys and high entropy alloy are fast developing, and have significant influence on fields such as the desgin and development of metallic materials, structural materials, green materials, magnetic materials, catalytic materials, and information materials. In this article, we review the history, the development trends, the ...


Development And Thinking Of Silicon Photonics Heterogenous Integration, Zihao WANG, Ting WANG, Jianjun ZHANG 2022 Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China Songshan Lake Materials Laboratory, Dongguan 523808, China

Development And Thinking Of Silicon Photonics Heterogenous Integration, Zihao Wang, Ting Wang, Jianjun Zhang

Bulletin of Chinese Academy of Sciences (Chinese Version)

Integrated photonics are fast-developing research field for next generation information technology. Current silicon photonic integrated chips strongly benefit from low-cost and high-density integration properties of existing CMOS technology. But limited by the physical properties of silicon, it is not a perfect material for different types of optoelectronic devices, such as laser sources, modulators, and infrared detectors. Therefore, heterogeneous integration is proposed by combining the advantages of CMOS process and superior opto-electric properties of heterogenous material systems, that can be an essential step towards next generation integrated optoelectronic chips. Here, this paper introduces the rapid progress of integrated photonics nationally and ...


Development Strategies Of New Energy Materials For Carbon Peak And Neutrality—Case Study Of Songshan Lake Materials Laboratory, Ximei QIU, Yan WANG, Haiming LYU, Jian XU, Yida WU, Xiaowei MA, Chunyi ZHI, Xiaolong DU, Xuejie HUANG 2022 Songshan Lake Materials Laboratory, Dongguan 523808, China

Development Strategies Of New Energy Materials For Carbon Peak And Neutrality—Case Study Of Songshan Lake Materials Laboratory, Ximei Qiu, Yan Wang, Haiming Lyu, Jian Xu, Yida Wu, Xiaowei Ma, Chunyi Zhi, Xiaolong Du, Xuejie Huang

Bulletin of Chinese Academy of Sciences (Chinese Version)

Transformative energy technologies will provide strong strategic support to the realization of peaking carbon dioxide emissions before 2030, and achieving net zero carbon emissions before 2060. Reducing the dependence on fossil fuels by saving energy and reducing emissions from the source is essential to achieve the double-carbon target as soon as possible. Songshan Lake Materials Laboratory is working on key materials to develop solar-battery power systems and electrification of transportation energy to return coal, oil, and natural gas from fuels to materials. This study focuses on introducing the research team of its New Energy Materials and Devices R&D Center ...


The Thermoelectric, Thermoresistive, And Hygroresistive Properties And Applications Of Vapor Printed Pedot-Cl, Linden K. Allison 2022 University of Massachusetts Amherst

The Thermoelectric, Thermoresistive, And Hygroresistive Properties And Applications Of Vapor Printed Pedot-Cl, Linden K. Allison

Doctoral Dissertations

Wearable electronics are a valuable tool to increase consumer access to real-time and long-term health care monitoring. The development of these technologies can also lead to major advancements in the field, such as self-charging systems that are completely removed from the electrical grid. However, much of the wearable technology available commercially contain rigid components, use unsustainable synthetic methods, or undesirable materials. The field has thus been moving towards wearables that mimic textiles or use textiles as a substrate. Herein, we discuss the use of oxidative chemical vapor deposition (oCVD) to produce textiles coated with poly(3,4-ethylenedioxythiophene) known as PEDOT-Cl ...


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