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Full-Text Articles in Chemistry

Short Wavelength Infrared Spectral Characterization Of The Mineralogy Of Gokona And Nyabigena Andesite-Hosted Gold Deposits In North Mara, Tanzania, Emmanuel Kazimoto Jun 2020

Short Wavelength Infrared Spectral Characterization Of The Mineralogy Of Gokona And Nyabigena Andesite-Hosted Gold Deposits In North Mara, Tanzania, Emmanuel Kazimoto

Tanzania Journal of Science

The mineralogy of Gokona and Nyabigena gold deposits in Tanzania have been studied using Short Wavelength Infrared (SWIR) Spectrometry technique with an aim to fingerprint hydrothermal system responsible for the formation of the deposits and establish pertinent mineralogical signatures for gold deposition. Gokona and Nyabigena deposits are hosted in porphyritic andesite to basaltic andesite that contains plagioclase phenocrysts, pyroxene, hornblende and Fe-Ti oxides as primary minerals. Other minerals are actinolite, chlorite, epidote, albite and hematite, which indicate metamorphism of the rock under greenschist facies conditions. Hydrothermal alteration of the rock produced chlorite, sericite, carbonates (ankerite, siderite and calcite), pyrite and …


Structural, Mineralogical And Quantitative Characterizations Of Compositions Of Products Linked To Explosive Volcanic Eruption At Haleakala, Usa, Aderemi Alabi, Ibukun Akinsola, Saminu Olatunji, Comfort Ogunyinka1, Oluwatoyin Osanyinlusi Jun 2020

Structural, Mineralogical And Quantitative Characterizations Of Compositions Of Products Linked To Explosive Volcanic Eruption At Haleakala, Usa, Aderemi Alabi, Ibukun Akinsola, Saminu Olatunji, Comfort Ogunyinka1, Oluwatoyin Osanyinlusi

Tanzania Journal of Science

This research focused the analysis vis-à-vis structural, mineralogical and quantitative characterizations of the samples which appeared to be formed from leftover of volcanic eruption sourced from basaltic magma obtained from Haleakala Hill, USA. The results show the presence of natural minerals like pyrolusite, zincite, magnetite, quartz, and diopside with their compositional concentrations in the samples. The geophysical analysis done corroborates the results obtained from the Scanning Electron Micrograph, which confirms the porosity of one of the samples. The X-Ray Diffraction results reveal the average grain sizes of the samples to range between 16 nm and 25 nm. Sample 'A' showed …


Seasonal Transport Of Dissolved Inorganic Carbon And Total Alkalinity Across The Louisiana Shelf, Michelle M. Anderson Jun 2020

Seasonal Transport Of Dissolved Inorganic Carbon And Total Alkalinity Across The Louisiana Shelf, Michelle M. Anderson

LSU Master's Theses

Rivers and wetlands are a major source of terrestrial derived carbon for coastal ocean margins. Unfortunately, Louisiana’s wetlands are threatened by ongoing high rates of erosion, deterioration, and unprecedented rates of river water discharge that changes seasonally, leading to a net loss of terrestrial carbon into the northern Gulf of Mexico (nGOM). There exists a current lack of understanding about the distribution of dissolved inorganic carbon (DIC) and total alkalinity (TAlk) within the shallowest regions of the Louisiana shelf. Even less is known about how the transport of DIC alters seasonally with changes in river outflow and shelf currents. Quantifying …


Investigating Geochemical Processes Of Fluid-Rock Interactions On Materials Related To Energy And Environment, Zelong Zhang Jun 2020

Investigating Geochemical Processes Of Fluid-Rock Interactions On Materials Related To Energy And Environment, Zelong Zhang

LSU Doctoral Dissertations

Understanding the potential processes of radionuclides released from nuclear waste forms is essential to the safe disposal and containment of nuclear waste. Iodoapatite, a potential waste form for radioiodine, was chosen as a model system to examine the impact by common aqueous anions on iodine release processes. Four semi-dynamic leaching tests were performed using 0.1 mol/L NaCl, Na2CO3, Na3PO4, and Na2SO4 solutions respectively under 90 °C, 1 bar, fixed S/V ratio 5/m (sample surface area to solution volume), and with 24-hour replacement of the leaching solutions. Solution analysis and …


Mineral-Surface Chemistry Of Hydroxyapatite And Urea-Rich Solutions, Estefania Garcia May 2020

Mineral-Surface Chemistry Of Hydroxyapatite And Urea-Rich Solutions, Estefania Garcia

Master of Science in Chemical Sciences Theses

On this planet the development of life requires six essential elements: C, H, O, N, P, and S. These elements are present in gaseous form, with the exception of phosphorus, which is primarily found in solid mineral sources. Phosphorus in biological systems is significant through its involvement in metabolic functions (e.g., Coenzyme A), cell structure (i.e., phospholipid membranes), and genetic storage/transfer (i.e., phosphodiester bonds in DNA and RNA). However, an ambiguity remains with the assimilation of phosphorus in biological systems, caused by its habitual presence in insoluble phosphate mineral sources. Recent research has found that insoluble phosphate …


Geochemical Tracers Of Arctic Ocean Processes: A Study Of Gallium, Barium, And Vanadium, Laura M. Whitmore May 2020

Geochemical Tracers Of Arctic Ocean Processes: A Study Of Gallium, Barium, And Vanadium, Laura M. Whitmore

Dissertations

The Arctic Ocean is linked to the global oceans and climate through its connectivity with the North Atlantic Ocean and the regional thermohaline deep water formation sites. It’s also a region undergoing rapid environmental change. To inform the community of potential changes in geochemical and biogeochemical cycles, this dissertation addresses three dissolved geochemical tracers (gallium, barium, and vanadium) as indicators of Arctic Ocean processes. Gallium is tested as a replacement for nutrient-type tracers in an effort to deconvolve Pacific and Atlantic derived waters in the Arctic Ocean basins. These water masses carry different heat and salt content and can influence …


Understanding Ice Mixtures Under Pluto Simulated Conditions And Their Implications For Geophysical Processes, Caitlin Joannah Ahrens May 2020

Understanding Ice Mixtures Under Pluto Simulated Conditions And Their Implications For Geophysical Processes, Caitlin Joannah Ahrens

Graduate Theses and Dissertations

New Horizons at Pluto has given the planetary science community the first images of Pluto’s surface, including geologic wonders and compositional variability. Methane, nitrogen, and carbon monoxide make up the bulk of the volatile plutonian surface along with water ice. In this work, these three main volatiles are specifically investigated in the laboratory setting to understand the spectral properties and behavior of binary and ternary mixtures. The spectra are taken in the near-infrared wavelengths (1 – 2.5 µm) using Fourier transform infrared (FTIR) spectroscopy techniques utilizing the Pluto Simulation Chamber housed at the University of Arkansas, which can reach conditions …


Assessment Of Soil Protein And Refractory Soil Organic Matter Across Two Chronosequences Of Newly Developing Marshes In Coastal Louisiana, Usa, Stuart Alexander Mcclellan Feb 2020

Assessment Of Soil Protein And Refractory Soil Organic Matter Across Two Chronosequences Of Newly Developing Marshes In Coastal Louisiana, Usa, Stuart Alexander Mcclellan

LSU Doctoral Dissertations

The impacts of sea-level rise and hydrologic manipulation are threatening the stability of coastal marshes throughout the world, thereby increasing the potential for re-mineralization of soil organic matter (SOM) in these systems. Such threats have prompted marsh restoration efforts, particularly in coastal Louisiana, yet it is unclear how the slowly decomposing (refractory) and quickly decomposing (labile) fractions of SOM may be differentially affected by different approaches to marsh restoration. Additionally, otherwise labile compounds may accumulate in the soil via a range of protective mechanisms, including rapid burial and association with organic compounds that are thought to enhance soil aggregation, such …


Anoxic Conditions Maintained High Phosphorus Sorption In Humid Tropical Forest Soils, Yang Lin, Avner Gross, Christine S. O'Connell, Whendee L. Silver Jan 2020

Anoxic Conditions Maintained High Phosphorus Sorption In Humid Tropical Forest Soils, Yang Lin, Avner Gross, Christine S. O'Connell, Whendee L. Silver

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

The strong phosphorus (P) sorption capacity of iron (Fe) and aluminum (Al) minerals in highly weathered, acidic soils of humid tropical forests is generally assumed to be an important driver of P limitation to plants and microbial activity in these ecosystems. Humid tropical forest soils often experience fluctuating redox conditions that reduce Fe and raise pH. It is commonly thought that Fe reduction generally decreases the capacity and strength of P sorption. Here we examined the effects of 14 d oxic and anoxic incubations on soil P sorption dynamics in humid tropical forest soils from Puerto Rico. Contrary to the …


Geochemical Analysis And Heat-Treatment Of Natural Sapphires From Madagascar And Tanzania In Oxidizing And Reducing Conditions, Lukas Karuza, Dr. Michael B. Wolf, Brian Konecke Phd Jan 2020

Geochemical Analysis And Heat-Treatment Of Natural Sapphires From Madagascar And Tanzania In Oxidizing And Reducing Conditions, Lukas Karuza, Dr. Michael B. Wolf, Brian Konecke Phd

Geology: Student Scholarship & Creative Works

Natural or synthetic sapphires can be heat-treated to improve the clarity by removing “silk” (inclusions) and to change color by introducing color-inducing elements (i.e., chromophores) into the lattice structure or changing their valency. Due to these reasons, sapphires can be heat-treated to increase their monetary value. Twenty natural blue (C1), 20 green (C2), and 20 clear (C3) sapphires from Madagascar and Tanzania were heat-treated in a muffle furnace in oxidizing and reducing conditions, from 1200 to 1600℃, for 10-hour soak time. In total, 5 experiments were conducted in which soak time remained constant: experiment 1 was performed at 1200℃, exp. …


Advancement Of Predictive Modeling Of Zeta Potentials (Ζ) In Metal Oxide Nanoparticles With Correlation Intensity Index (Cii), Andrey A. Toropov, Natalia Sizochenko, Alla P. Toropova, Danuta Leszczynska, Jerzy Leszczynski Jan 2020

Advancement Of Predictive Modeling Of Zeta Potentials (Ζ) In Metal Oxide Nanoparticles With Correlation Intensity Index (Cii), Andrey A. Toropov, Natalia Sizochenko, Alla P. Toropova, Danuta Leszczynska, Jerzy Leszczynski

Articles

It was expected that index of the ideality of correlation (IIC) and correlation intensity index (CII) could be used as possible tools to improve the predictive power of the quantitative model for zeta potential of nanoparticles. In this paper, we test how the statistical quality of quantitative structure-activity models for zeta potentials (ζ, a common measurement that reflects surface charge and stability of nanomaterial) could be improved with the use of these two indexes. Our hypothesis was tested using the benchmark data set that consists of 87 measurements of zeta potentials in water. We used quasi-SMILES molecular representation to take …


Environmental Forensics Of Complexly Contaminated Sites: A Complimentary Fingerprinting Approach, Michael A. Kruge, Azucena Lara-Gonzalo, José Luis Gallego Jan 2020

Environmental Forensics Of Complexly Contaminated Sites: A Complimentary Fingerprinting Approach, Michael A. Kruge, Azucena Lara-Gonzalo, José Luis Gallego

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

The environmental forensics approach is most often applied in petroleum and fuel spill incidents, for which sophisticated chemical fingerprinting procedures have evolved. In cases in which pollutant discharges occur in settings with prior contamination, more care must be taken in source discrimination, requiring further advances in methodology. Additional obstacles can arise if the spill is an atypical industrial discharge. This would necessitate painstaking characterization of unfamiliar substances lying outside of existing regulatory regimes and thus overlooked by mandated analytical protocols (i.e., contaminants of emerging concern). Towards these ends, this paper presents a systematic, multi-faceted GC-MS approach using the saturated, aromatic, …


Microdialysis: A Method For Quantifying In Situ Nitrogen Fluxes In Soil Microsites, Srusti Maddala, Mary C. Savin, Julie A. Stenken, Lisa S. Wood Jan 2020

Microdialysis: A Method For Quantifying In Situ Nitrogen Fluxes In Soil Microsites, Srusti Maddala, Mary C. Savin, Julie A. Stenken, Lisa S. Wood

Discovery, The Student Journal of Dale Bumpers College of Agricultural, Food and Life Sciences

Microdialysis, a diffusion-based sampling technique commonly used in biomedical research, has recently been recognized as a candidate for monitoring chemical changes in the rhizosphere. The information it provides about nutrient diffusion may improve nitrogen use efficiency, leading to enhanced management and success of restoration projects. The objective of this study was to determine the efficacy of microdialysis sampling to quantify the relative recoveries (RR%) of nitrate-N and ammonium-N, the two inorganic nitrogen compounds typically found in soil. The effects of microdialysis flow rate, sample medium concentration, and the presence of both analytes in solution on the relative recoveries obtained from …


Reconstructing Hydrologic Conditions And Metals Supplied By The Peace River To The Peace-Athabasca Delta, Jelle André Faber Jan 2020

Reconstructing Hydrologic Conditions And Metals Supplied By The Peace River To The Peace-Athabasca Delta, Jelle André Faber

Theses and Dissertations (Comprehensive)

The Peace-Athabasca Delta (PAD) in northern Alberta, Canada, is recognized internationally for its ecological, historical, and cultural significance. The delta is mostly within Wood Buffalo National Park, a UNESCO World Heritage Site, and is a Ramsar Wetland of International Importance. The construction of the WAC Bennett Dam (1967) and the Site C Dam (ongoing, 2024) on the Peace River, and expansion of the Alberta Oil Sands industry along the Athabasca River have raised concerns over water quantity and quality in the delta. When industry operations began, effective monitoring had not been implemented. Consequently, pre-industrial reference conditions are unknown and can …


Measured Optical Absorption Cross Sections Of Tio, Peter Bernath Jan 2020

Measured Optical Absorption Cross Sections Of Tio, Peter Bernath

Chemistry & Biochemistry Faculty Publications

A laboratory emission spectrum of TiO in the visible and near-infrared regions (476–1176 nm) has been calibrated and corrected. High-resolution experimental absorption cross sections for TiO with natural isotopic abundance are provided at a temperature of about 2300 K. These cross sections have been compared with those derived from the ExoMol line list. The experimental cross sections can be used directly as a template for cross correlation TiO detection in hot Jupiter exoplanets.


Characterization Of Coal Particles In The Soil Of A Former Rail Yard And Urban Brownfield: Liberty State Park, Jersey City (Nj), Usa, Diane F. Hagmann, Michael A. Kruge, Nina M. Goodey, Jennifer Adams Krumins Jan 2020

Characterization Of Coal Particles In The Soil Of A Former Rail Yard And Urban Brownfield: Liberty State Park, Jersey City (Nj), Usa, Diane F. Hagmann, Michael A. Kruge, Nina M. Goodey, Jennifer Adams Krumins

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

From the 1850's until the 1960's, the Central Railroad of New Jersey was among several major railways shipping anthracite and bituminous coal to the New York City area, transferring coal from railcar to barge at its extensive rail yard and port facility in Jersey City. The 490 ha Liberty State Park was developed on the site after the rail yard closed, but a ca. 100 ha brownfield zone within the park remains off limits to visitors pending future remediation. As part of an environmental forensic and industrial archeological investigation of this zone, the present study characterizes anthracite and bituminous coal …


Microplastic Fragment And Fiber Contamination Of Beach Sediments From Selected Sites In Virginia And North Carolina, Usa, Gabrielle Z. Dodson, A. Katrina Shotorban, Patrick G. Hatcher, Derek Waggoner, Sutapa Ghosal, Nora Noffke Jan 2020

Microplastic Fragment And Fiber Contamination Of Beach Sediments From Selected Sites In Virginia And North Carolina, Usa, Gabrielle Z. Dodson, A. Katrina Shotorban, Patrick G. Hatcher, Derek Waggoner, Sutapa Ghosal, Nora Noffke

OES Faculty Publications

Microplastic particles (<5 >mm) constitute a growing pollution problem within coastal environments. This study investigated the microplastic presence of estuarine and barrier island beaches in the states of Virginia and North Carolina, USA. Seventeen sediment cores were collected at four study sites and initially tested for microplastic presence by pyrolysis-gas chromatography–mass spectrometry. For the extraction, microplastic particles were first separated from the sediment using a high-density cesium chloride solution (1.88 g/mL). In a second step, an oil extraction collected the remaining microplastic particles of higher densities. Under the light microscope, the extracted microplastic particles were classified based on their morphologies …


The Potential Of Radium-224 As A Tracer Of Timescales Of Gulf Of Mexico Crude Oil Exposure To The Marine Environment, Matthew T. Kurpiel Nov 2019

The Potential Of Radium-224 As A Tracer Of Timescales Of Gulf Of Mexico Crude Oil Exposure To The Marine Environment, Matthew T. Kurpiel

Electronic Theses and Dissertations

Petroleum pollution in the marine environment can be deleterious to coastal and marine ecosystems and can have sustained effects for years. While oil slicks on the surface of the ocean are tracked with relative ease using satellite-based technology, deep sea, neutrally-buoyant hydrocarbon plumes remain exceedingly difficult to track. We provide evidence for the utility of Ra-224 as a potential hydrocarbon tracer to determine the marine exposure time of crude oil. We employed time course incubations to constrain a time dependent Ra-224 release signature and tested a variety of timescales, temporal resolutions, oil sources, seawater, and experimental treatments to determine potential …


Biochar Enhances Nitrous Oxide Reduction In Acidic But Not In Near-Neutral Ph Soil, Engil Isadora Pujol Pereira, Jerome Lechot, Rafaela Feola Conz, Abmael Da Silva Cardoso, Johan Six Oct 2019

Biochar Enhances Nitrous Oxide Reduction In Acidic But Not In Near-Neutral Ph Soil, Engil Isadora Pujol Pereira, Jerome Lechot, Rafaela Feola Conz, Abmael Da Silva Cardoso, Johan Six

School of Earth, Environmental, & Marine Sciences Faculty Publications

We quantified nitrous oxide (N2O) fluxes and total denitrification (N2O + N2) in an acidic (Ferralsol) and a near-neutral pH soil (Cambisol) to determine whether biochar’s alkalinization effect could be the mechanism inducing potential reductions in N2O fluxes. In Ferralsol, decreases in N2O emissions and in the N2O to N2O + N2 ratio were observed in both biochar and lime treatments. In Cambisol, neither biochar nor lime decreased N2O emissions, despite significantly increasing soil pH. The abundance and community structure of nosZ gene-bearing microorganisms indicated that gene abundances did not explain biochar effects, but a higher diversity of nosZ gene-bearing …


Development Of A Tunable Platform For The Study Of Geomacromolecular Matrices Using Controlled Radical Polymerization, Arjun Pandey Oct 2019

Development Of A Tunable Platform For The Study Of Geomacromolecular Matrices Using Controlled Radical Polymerization, Arjun Pandey

LSU Doctoral Dissertations

Soil is an important environmental component, and the study of soil processes have many practical implications such as improvement in agriculture, mitigation of climate change etc. The widespread use of Agricultural Chemicals (ACs) in modern agriculture has resulted in adverse effects in environment and human health mostly through contamination into food and water sources. Study of fate, bioavailability, and transport of ACs involves molecular level understanding of their interactions with soil. This can be challenging due to complex and heterogeneous nature of soil. One common approach used is the correlation of macroscopic properties of soil, (e.g. sorption) with empirical parameters …


Improving Thorium-230 Determination In Marine Sediment, Katherine Mateos Oct 2019

Improving Thorium-230 Determination In Marine Sediment, Katherine Mateos

Independent Study Project (ISP) Collection

Our oceans are intimately related to the climate of our planet. Paleoceanographic approaches aim to study oceans through geologic time to improve models of future climate. Radioisotopes provide us with chemical tracers that help us understand change through time. The uraniumseries decay chain contains thorium-230, a decay product of uranium-234. This isotope is useful to paleoceanographers in its disequilibrium to its parent isotope and in determining the flux of sediment falling to the ocean floor. In order to use 230Th to study oceans, we must be able to accurately measure the amount of thorium in sediment samples. Thorium is found …


Literature Review: Biocement For Stabilization Of Expansive Soils In Las Vegas, Nevada, Silva Topchyan, Moses Karakouzian Sep 2019

Literature Review: Biocement For Stabilization Of Expansive Soils In Las Vegas, Nevada, Silva Topchyan, Moses Karakouzian

LSAMP Poster Presentations

The aim of this study was to present a possibility for the use of biocementon expansive clay. Expansive soil is a type of clay when exposed to water and moisture changes its volume. Due to the clays swelling and shrinkage behavior itsdifficult to use it in engineering and construction projects, therefore costly and unhealthy techniques have been used to stabiliseexpansive soil in order to address the problem [12]. A possible healthy and environmentally friendly solution is Biocement which uses microbial induced calcite precipitation (MICP) in order to help aggregate soil to form a stable cementitiousmaterial. MICP isdependent on the innate …


Environmental Assessment Of Arsenic And Mercury Levels At The Garfield Mill Site, Calico, California, Steven Gregory Thorp Sep 2019

Environmental Assessment Of Arsenic And Mercury Levels At The Garfield Mill Site, Calico, California, Steven Gregory Thorp

Electronic Theses, Projects, and Dissertations

Environmental impacts of mining at Calico, California, are poorly understood in comparison to the details of its history of silver production. Human health risks associated with arsenic from the lode rock, as well as mercury from the silver milling process, include central nervous system damage, organ failure, and death. To quantify the potential human health risk and manage remediation of this site, tailings from the Garfield Mill site were digitally mapped and chemically analyzed by portable x-ray fluorescence, which permitted volumetric estimates of total mill tailings and the arsenic and mercury budget, as well as identification of anomalies in the …


Development Of A Ground-Based Aerial-Tracking Instrument For Open-Path Spectroscopy To Monitor Atmospheric Constituents, Haden Hodges Aug 2019

Development Of A Ground-Based Aerial-Tracking Instrument For Open-Path Spectroscopy To Monitor Atmospheric Constituents, Haden Hodges

Civil Engineering Undergraduate Honors Theses

A ground-based aerial-tracking instrument, known as the Ground Tracker, designed to provide spectral data to quantify greenhouse gases is under development. The Ground Tracker includes an Optical System including a high power rifle scope, video camera, and spectrometer used to locate an active light source from the Emitter, and collect spectral data by utilizing an actuating mirror. The implementation of this instrument could be made low cost by utilizing existing weather balloon infrastructure to allow the Emitter to be placed into the lower stratosphere. The recovery of the emitter will be possible by tracking the GPS coordinates. Weather balloon instrument …


Lipid Biomarkers Of Bering And Chukchi Sea Euphausiids And Their Application To Diet History, Rachel L. Pleuthner Jul 2019

Lipid Biomarkers Of Bering And Chukchi Sea Euphausiids And Their Application To Diet History, Rachel L. Pleuthner

OES Theses and Dissertations

In the eastern Bering Sea, Thysanoessa raschii are the most abundant krill species and a keystone trophic member that serve as both an important grazer and link to upper level consumers. In this system krill experience large annual variation in food resources, especially during ice advance and retreat; multiple lipid classes are used to temper the effects of those fluctuations, as well as to fuel reproduction and growth. Two shipboard feeding experiments that occurred during late spring and early summer of 2010, respectively, monitored the lipid retention in adult T. raschii and examined the fluctuation of specific lipid biomarkers under …


An In-Situ Study Of The Aqueous Speciation Of Uranium (Vi) Under Hydrothermal Conditions, Diwash Dhakal May 2019

An In-Situ Study Of The Aqueous Speciation Of Uranium (Vi) Under Hydrothermal Conditions, Diwash Dhakal

Graduate Theses/Dissertations

Rigorous study of the speciation distribution of uranyl-chloride bearing solutions under hydrothermal conditions is important to understand the transport mechanism of uranium underground, which is of uttermost interest to parties studying the geological uranium deposits and those studying the possibilities of geological repositories for spent nuclear waste. I report an in-situ Raman spectroscopic study of the speciation distribution of aqueous uranyl-chloride complexes upto 500°C conducted using a HDAC as the high PT spectroscopic cell. The samples studied contained the species UO22+, UO2Cl+, UO2Cl20 and UO2Cl3- …


Pressure-Induced Phase Transition In 1,3,5-Triamino-2,4,6-Trinitrobenzene (Tatb), Brad A. Steele, Samantha M. Clarke, Matthew P. Kroonblawd, I-Feng W. Kuo, Philip F. Pagoria, Sergey N. Tkachev, Jesse S. Smith, Sorin Bastea, Laurence E. Fried, Joseph M. Zaug, Elissaios Stavrou, Oliver Tschauner May 2019

Pressure-Induced Phase Transition In 1,3,5-Triamino-2,4,6-Trinitrobenzene (Tatb), Brad A. Steele, Samantha M. Clarke, Matthew P. Kroonblawd, I-Feng W. Kuo, Philip F. Pagoria, Sergey N. Tkachev, Jesse S. Smith, Sorin Bastea, Laurence E. Fried, Joseph M. Zaug, Elissaios Stavrou, Oliver Tschauner

Geoscience Faculty Research

Determining the unreacted equation of state of 1,3, 5-triamino-2,4,6-trinitrobenzene (TATB) is challenging because it exhibits low crystal symmetry and low X-ray scattering strength. Here, we present the first high-pressure single-crystal X-ray diffraction (SXD) study of this material. Our SXD results reveal a previously unknown transition to a monoclinic phase above 4 GPa. No abrupt change of the volume occurs but the compressibility changes. Concomitant first principles evolutionary crystal structure prediction USPEX calculations confirm this transition and show that it involves a pressure-induced in-plane shift of the layers of TATB molecules with respect to the ambient-pressure phase.


Modeled Affinity Constants For Phosphorus Adsorption And Desorption Due To Saltwater Intrusion, Yasemin Taşcı Mar 2019

Modeled Affinity Constants For Phosphorus Adsorption And Desorption Due To Saltwater Intrusion, Yasemin Taşcı

USF Tampa Graduate Theses and Dissertations

It is important to understand the processes that regulate phosphorus (P) fluxes to coastal environments, because P is an important nutrient in coastal ecosystems. Phosphorus adsorbs to the surface of minerals in sediment and bedrock, and an influx of seawater can cause some of that P to desorb, raising the P concentration of ambient water. Although seawater-induced P desorption is thought to be an important source of P to coastal environments, the chemical reactions that underlie it have not been established. Previous work provides some relevant surface reactions and associated affinity constants between various aqueous P species and the surface …


Evaluating Seasonal Nutrient Fluxes In Emerging And Eroding Wetlands Of The Louisiana Delta Plain, Kiran Upreti Mar 2019

Evaluating Seasonal Nutrient Fluxes In Emerging And Eroding Wetlands Of The Louisiana Delta Plain, Kiran Upreti

LSU Doctoral Dissertations

Deltaic wetlands can ameliorate high NO3- loads via denitrification, a dominant NO3- reduction pathway in inland and coastal habitats. Dissimilatory Nitrate Reduction to Ammonia (DNRA), in contrast to denitrification, conserves N within the system and has been found to be favored over denitrification with increase in salinity and temperature. There are no studies in the Louisiana Deltaic plain with simultaneous estimation of denitrification and DNRA. Increased P availability has been shown to increase denitrification so it is essential to understand P biogeochemistry when studying N cycle. Here, we evaluated net denitrification using N2:Ar and …


Seasonal Origins Of Soil Water Used By Trees, Scott T. Allen, James W. Kirchner, Sabine Braun, Rolf T. W. Siegwolf, Gregory R. Goldsmith Mar 2019

Seasonal Origins Of Soil Water Used By Trees, Scott T. Allen, James W. Kirchner, Sabine Braun, Rolf T. W. Siegwolf, Gregory R. Goldsmith

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Rain recharges soil water storages and either percolates downward into aquifers and streams or is returned to the atmosphere through evapotranspiration. Although it is commonly assumed that summer rainfall recharges plant-available water during the growing season, the seasonal origins of water used by plants have not been systematically explored. We characterize the seasonal origins of waters in soils and trees by comparing their midsummer isotopic signatures (δ2H) to seasonal isotopic cycles in precipitation, using a new seasonal origin index. Across 182 Swiss forest sites, xylem water isotopic signatures show that summer rain was not the predominant water source …