Chemistry Commons^™

Unraveling Sources Of Cyanate In The Marine Environment: Insights From Cyanate Distributions And Production During The Photochemical Degradation Of Dissolved Organic Matter, Rui Wang, Jihua Liu, Yongle Xu, Li Liu, Kenneth Mopper

Chemistry & Biochemistry Faculty Publications

Cyanate is a nitrogen and energy source for diverse marine microorganisms, playing important roles in the nitrogen cycle. Despite the extensive research on cyanate utilization, the sources of this nitrogen compound remain largely enigmatic. To unravel the sources of cyanate, distributions and production of cyanate during photochemical degradation of natural dissolved organic matter (DOM) were investigated across various environments, including freshwater, estuarine, coastal areas in Florida, and the continental and slope regions of the North American mid-Atlantic Ocean (NATL). Cyanate production was also examined during the photochemical degradation of exudates from a typical strain of Synechococcus, an important phytoplankton …

Ambient Ammonia Synthesis Via Microwave-Catalytic Materials And Plasma Chemistry, Siobhan Brown

Graduate Theses, Dissertations, and Problem Reports

Ammonia is critical to supporting human life on earth because of its use as fertilizer. The Haber-Bosch process to produce ammonia has been practiced for over 100 years. This process operates at high pressure and temperature to overcome the thermodynamic and kinetic limitations of the ammonia synthesis reaction thus researchers have tried to overcome it for decades. At present this process represents 1% of global energy usage and 2.5% of global CO₂ emissions. The proposed chemical looping ammonia synthesis approach seeks to reduce the environmental impact of this critical process and to elucidate microwave-catalytic principles.

This research aims to …

Modelling And Simulation Of Chemical Reaction Of Porous Mgcl2 Pellets With Nh3 By Including Impact Of Heat And Mass Transfer And Structure Change, Zeynep Karakaş Helvaci, Gürkan Karakaş, Yusuf Uludağ

Turkish Journal of Chemistry

The MgCl2?NH3 reactive system is investigated in terms of heat and mass transfer coupled with chemical reaction through numerical simulation. The reversible nature of the chemical reaction is captured by including adsorption and desorption terms in the rate expression simultaneously. The kinetic coefficients of the adsorption are directly adopted from the literature, while those for the desorption reaction are calculated based on the thermodynamic relations. The impact of changing pressure and pellet porosity are also investigated in the simulations. The initial temperature of the pellet is 300 K in all simulations. Temperature, NH3 pressure, and conversion distributions in the pellets, …

Determination Of Total Ammonia Nitrogen By Gas-Diffusion Flow Injection Analysis (Gd-Fia)-Spectrophotometry Using Minnieroot Flower (Ruellia Tuberosa) As Natural Reagent, Lani Artana Putri, Puspita Mufidah Sari, Hermin Sulistyarti, Akhmad Sabarudin, Erwin Sulistyo

Makara Journal of Science

Total ammonia nitrogen (TAN) is a pollutant agent found in water and generated from the metabolisms of living organisms and the decomposition of organic matter. This research aims to develop an efficient, low-cost, and environmentally friendly TAN analysis method. The principle of this method is based on the reaction of TAN injected in the donor stream with NaOH to form alkaline gaseous ammonia. The gaseous ammonia diffuses through a hydrophobic membrane into an acceptor stream containing Ruellia tuberosa extract. The presence of NH₃ gas in the acceptor stream changes the extract color from pinkish to green, which is monitored …

The Role Of Ammonia In Atmospheric New Particle Formation And Implications For Cloud Condensation Nuclei, Arshad Arjunan Nair

Legacy Theses & Dissertations (2009 - 2024)

Atmospheric ammonia has received recent attention due to (a) its increasing trend across various regions of the globe; (b) the associated direct and indirect (through PM2.5) effects on human health, the ecosystem, and climate; and (c) recent evidence of its role in significantly enhancing atmospheric new particle formation (NPF or nucleation) rates. The mechanisms behind nucleation in the atmosphere are not fully understood, although over the last decade there have been significant developments in our understanding. This dissertation aims at improving our understanding of atmospheric ammonia in the atmosphere, its spatiotemporal variability, its role in atmospheric new particle formation, and …

Multiwall Carbon Nanotube-Supported Molybdenum Catalysts For Ammonia Decomposition Reaction Under Microwave Effect, Meli̇h Güler, Di̇lek Varişli

Turkish Journal of Chemistry

In this study, microwave-assisted ammonia decomposition reaction was investigated over molybdenum incorporated catalysts. Due to the selective, volumetric, and noncontact heating properties of the microwave system, higher conversion values could be achieved at relatively lower reaction temperatures, which is important for on-site COx-free hydrogen production. Multiwall carbon nanotube-supported molybdenum catalysts were prepared following the impregnation procedure with different metal loading (3.5%-12.5% wt%), and inductively coupled plasma, nitrogen physisorption, X-ray diffraction, and transmission electron microscopic techniques were employed to characterize the fresh and used samples. Reaction experiments were performed under the flow of pure ammonia with a gas hourly space velocity …

Monitoring Tropospheric Gases With Small Unmanned Aerial Systems (Suas) During The Second Cloudmap Flight Campaign, Travis J. Schuyler, Sean C. C. Bailey, Marcelo I. Guzman

Chemistry Faculty Publications

Small unmanned aerial systems (sUAS) are a promising technology for atmospheric monitoring of trace atmospheric gases. While sUAS can be navigated to provide information with higher spatiotemporal resolution than tethered balloons, they can also bridge the gap between the regions of the atmospheric boundary layer (ABL) sampled by ground stations and manned aircraft. Additionally, sUAS can be effectively employed in the petroleum industry, e.g., to constrain leaking regions of hydrocarbons from long gasoducts. Herein, sUAS are demonstrated to be a valuable technology for studying the concentration of important trace tropospheric gases in the ABL. The successful detection and quantification of …

Characterization Of The Uranium-Bearing Phases Produced By Novel Remediation Technologies For Sequestration Of Mobile Radiological Contaminants In The Hanford 200 Area Vadose Zone, Robert Michael Lapierre

FIU Electronic Theses and Dissertations

Of the many toxic chemicals released into the Hanford vadose zone over the decades of nuclear weapons production, uranium has emerged as a contaminant of significant interest. The ammonia gas injection remediation method has been identified as a promising approach towards mitigating the risks to the ecosystem by limiting the mobility of the radionuclide in the vadose zone. The remediation method was replicated using synthetic porewater solutions with a range of constituent concentrations equal to that of the Hanford 200 Area vadose zone. The uranium-bearing products of the remediation method were characterized using kinetic phosphorescence analysis for aqueous uranium, scanning …

Evaluation Of Cafo Dairy Manure Treatment To Reduce Nutrient Transport, Jenna Laib

Honors Projects

Excess amounts of phosphorus and nitrogen flowing into Lake Erie from agricultural fields in Northwest Ohio has led to several harmful algal blooms (HABs). One potential source of those nutrients is manure applied to fields for fertilizer. Manure from confined animal feeding operations (CAFOs) is 95-98% water with only ~3% solids and nutrients, thus physical transportation is expensive relative to the value of the agricultural nutrients. Furthermore, once manure nutrients are applied to agricultural fields, they are relatively easily mobilized to waterways by precipitation. More than 800 lab-scale tests have been used to optimize the treatment of CAFO manure with …

Analysis Of The Red And Green Optical Absorption Spectrum Of Gas Phase Ammonia, Nikolai F. Zobov, Phillip A. Coles, Roman I. Ovsyannikov, Aleksandra A. Kyuberis, Robert J. Hargreaves, Peter F. Bernath, Jonathan Tennyson, Sergei N. Yurchenko, Oleg L. Polyansky

Chemistry & Biochemistry Faculty Publications

Room temperature NH₃ absorption spectra recorded at the Kitt Peak National Solar Observatory in 1980 are analyzed. The spectra cover two regions in the visible: 15,200 - 15,700 cm^-1 and 17,950 - 18,250 cm^-1. These high overtone rotation-vibration spectra are analyzed using both combination differences and variational line lists. Two variational line lists were computed using the TROVE nuclear motion program: one is based on an ab initio potential energy surface (PES) while the other used a semi-empirical PES. Ab initio dipole moment surfaces are used in both cases. 95 energy levels with J = 1 …

High Resolution Spectra Of Carbon Monoxide, Propane And Ammonia For Atmospheric Remote Sensing, Christopher Andrew Beale

OES Theses and Dissertations

Spectroscopy is a critical tool for analyzing atmospheric data. Identification of atmospheric parameters such as temperature, pressure and the existence and concentrations of constituent gases via remote sensing techniques are only possible with spectroscopic data. These form the basis of model atmospheres which may be compared to observations to determine such parameters. To this end, this dissertation explores the spectroscopy of three molecules: ammonia, propane and carbon monoxide.

Infrared spectra have been recorded for ammonia in the region 2400-9000 cm^-1. These spectra were recorded at elevated temperatures (from 293-973 K) using a Fourier Transform Spectrometer (FTS). Comparison between …

Electrochemical Detection Of Ammonia In Aqueous Solution Using Fluorescamine: A Comparison Of Fluorometric Versus Voltammetric Analysis, Panchompoo Janjira, G. Compton Richard

Journal of Electrochemistry

Fluorescamine is a non-fluorescent reagent widely used for the quantitative determination of primary amines by fluorescence spectroscopy as it reacts readily with primary amines to form a fluorescent product. In this work, a new sensitive voltammetric method for the detection of ammonia in aqueous solution by the reaction with fluorescamine has been developed. First, the electrochemical behaviour of fluorescamine in the absence and presence of ammonia was investigated in 0.1 mol L^-1 borate buffer solution (pH 9.0) by cyclic voltammetry using a glassy carbon (GC) electrode. As for fluorescamine itself, a well-defined irreversible oxidation peak could be observed at …

Trends In Heavy-Duty Diesel Emissions And Analyses Of Colorado's Light-Duty Vehicle Inspection And Maintenance Program, Brent G. Schuchmann

Electronic Theses and Dissertations

Emission trends are reported and discussed resulting from the multi-year study of Heavy-Duty Diesel Vehicles (HDDV) at the Port of Los Angeles and at a weigh station in Peralta also in the L.A. basin. Remote sensing data were also collected from the Port of Houston and compared to the data from California. As part of San Pedro Bay Ports Clean Air Action Plan (CAAP) to fast track the turnover rate of cleaner trucks, many truck operators have been subject to modifying their trucks, or have purchased new trucks, with more advanced control technologies to reduce exhaust particulate matter (PM) and …

Measurement Of Atmospheric Ammonia Species : Development, Validation, And Field Applications Of An Analytical Method, Jian Hou

Legacy Theses & Dissertations (2009 - 2024)

Ammonia is the primary base in the atmosphere. It reacts readily with atmospheric acids such as sulfuric acid, nitric acid, and hydrochloric acid to form ammonium salts that occur predominantly in the fine aerosol particle (PM2.5) fraction. The ability to measure ammonia species (NHx, the sum of gaseous NH₃ and particulate NH₄+) is essential for the investigation of atmospheric behaviors of NHx. In this dissertation work, a highly sensitive technique has been developed for the measurement of atmospheric NHx species. The method is based on aqueous scrubbing of the atmospheric NH₃ and NH₄+ using …

Structural Evolution Of Ammonia Borane For Hydrogen Storage, Jinbo Yang, Jagat Lamsal, Qingsheng Cai, William B. Yelon, William Joseph James

Physics Faculty Research & Creative Works

We have studied the crystal structure of fully deuterated BH3NH3 using powder neutron diffraction at different temperatures. It is evident that an order-disorder phase transition occurs around 225 K. At low temperature, the compound crystallizes in the orthorhombic structure with space group Pnm21 and gradually transforms to a high temperature tetragonal structure with space group I4 mm above 225 K. At 16 K, the BD3-ND3 unit stacks along the c axis with a tilt angle of about 16° between the N-B bond and the c axis. As the temperature is increased, the BD3-ND3 groups start to reorient along the c …

Ammonia Elimination From Protonated Nucleobases And Related Synthetic Substrates, Ming Qian, Shuo Yang, Hong Wu, Papiya S. Majumdar, Nathan D. Leigh, Rainer Glaser

Chemistry Faculty Research & Creative Works

The results are reported of mass-spectrometric studies of the nucleobases adenine 1h (1, R = H), guanine 2h, and cytosine 3h. The protonated nucleobases are generated by electrospray ionization of adenosine 1r (1, R = ribose), guanosine 2r, and deoxycytidine 3d (3, R = deoxyribose) and their fragmentations were studied with tandem mass spectrometry. In contrast to previous EI-MS studies of the nucleobases, NH₃ elimination does present a major path for the fragmentations of the ions [1h + H]⁺, [2h + H]⁺, and …

Evaluation Of Adsorption Effects On Measurements Of Ammonia, Acetic Acid, And Methanol, Robert J. Yokelson, Ted J. Christian, Isaac T. Bertschi, Wei M. Hao

Chemistry and Biochemistry Faculty Publications

[1] We examined how adsorption and desorption of gases from inlets and a cell could affect the accuracy of closed-cell FTIR measurements of carbon dioxide (CO₂), carbon monoxide (CO), methane (CH₄), nitric oxide (NO), nitrogen dioxide (NO₂), methanol (CH₃OH), acetic acid (CH₃COOH), and ammonia (NH₃). When standards were delivered to the cell through a stainless steel inlet, temporarily reduced transmission was observed for CH₃OH and NH₃. However, a halocarbon wax coated inlet (normally used on the system) had excellent transmission (comparable to room temperature …

Trace Gas And Particle Emissions From Fires In Large Diameter And Belowground Biomass Fuels, Isaac T. Bertschi, Robert J. Yokelson, Darold E. Ward, R. E. Babbitt, Ronald A. Susott, Jon G. Goode, Wei Min Hao

Chemistry and Biochemistry Faculty Publications

[1] We adopt a working definition of residual smoldering combustion (RSC) as biomass combustion that produces emissions that are not lofted by strong fire-induced convection. RSC emissions can be produced for up to several weeks after the passage of a flame front and they are mostly unaffected by flames. Fuels prone to RSC include downed logs, duff, and organic soils. Limited observations in the tropics and the boreal forest suggest that RSC is a globally significant source of emissions to the troposphere. This source was previously uncharacterized. We measured the first emission factors (EF) for RSC in a series of …

Heterogeneous Photocatalytic Reduction Of Ferrate(Vi) In Uv-Irradiated Titania Suspensions: Role In Enhancing Destruction Of Nitrogen-Containing Pollutants, Virender K. Sharma, Kurt Winkelmann, Yekaterina Krasnova, Changyoul Lee, Mary Sohn

Chemistry and Chemical Engineering Faculty Publications

The results of the heterogeneous photocatalytic reduction of Fe(VI) in UV-irradiated TiO2 suspensions are presented and suggest indirect observation of the formation of Fe(V) by the photoreduction of Fe(VI) with ecb- at TiO2 surfaces. Because Fe(V) selectively and rapidly oxidizes low reactivity pollutants with the production of the non-toxic by-product, Fe(III), the photocatalytic reduction of Fe(VI) has a role in pollution remediation processes. The experiments were conducted as a function of TiO2 suspension concentrations, Fe(VI) concentrations, and pH in basic media. The initial rate of Fe(VI) reduction gave a fractional order with respect to initial Fe(VI) concentrations and adheres to …

Nutrient Limitation In A Southwestern Desert Reservoir: Eutrophication Of Las Vegas Bay, Lake Mead, Nevada, Davine M. Lieberman

Publications (WR)

Algal bioassay tests were conducted with Selenastrum capricornutum and natural algae on inner Las Vegas Bay, Lake Mead, Nevada, from December 1992 through September 1993, to identify any nutrient limitation in an area of the reservoir that has experienced problems associated with severe nutrient enrichment. Three areas were sampled based on a gradient of water quality conditions that existed in Las Vegas Bay (LVB). Disodium ethylenedinitrilotetraacetate (EDTA) significantly stimulated algal growth compared to non-EDTA treatment. Algal bioassays indicated that phosphorus (P) was the primary limiting nutrient at all stations for most of the test dates. Chl a response with EDTA …

Proton‐Donor Properties Of Water And Ammonia In Van Der Waals Complexes. Be–H2o And Be–Nh3, G. Chalasinski, M. M. Szczesniak, Steve Scheiner

Steve Scheiner

The potential energy surfaces (PES) of Be–H₂O and Be–NH₃ are studied with particular attention to characterization of proton‐donor properties of water and ammonia. Calculations were performed by means of both supermolecular and intermolecular Møller Plesset perturbation theory. The Be–H₂O PES reveals two van der Waals minima: the C_2v minimum (D_e=176 cm⁻¹, R_e=6.5 bohr), and the H‐bonded minimum (D_e=161 cm⁻¹, R_e=7.5 bohr), separated by a barrier of 43 cm⁻¹ at the T‐shaped configuration. The Be–NH₃ PES reveals only …

Proton‐Donor Properties Of Water And Ammonia In Van Der Waals Complexes. Be–H2o And Be–Nh3, G. Chalasinski, M. M. Szczesniak, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

The potential energy surfaces (PES) of Be–H₂O and Be–NH₃ are studied with particular attention to characterization of proton‐donor properties of water and ammonia. Calculations were performed by means of both supermolecular and intermolecular Møller Plesset perturbation theory. The Be–H₂O PES reveals two van der Waals minima: the C_2v minimum (D_e=176 cm⁻¹, R_e=6.5 bohr), and the H‐bonded minimum (D_e=161 cm⁻¹, R_e=7.5 bohr), separated by a barrier of 43 cm⁻¹ at the T‐shaped configuration. The Be–NH₃ PES reveals only …

Proton–Donor Properties Of Water And Ammonia In Van Der Waals Complexes With Rare‐Gas Atoms. Kr–H2o And Kr–Nh3, G. Chalasinski, M. M. Szczesniak, Steve Scheiner

Steve Scheiner

The perturbation theory of intermolecular forces in conjunction with the supermolecular Møller–Plesset perturbation theory is applied to the analysis of the potential‐energy surfaces of Kr–H₂O and Kr–NH₃ complexes. The valleylike minimum region on the potential‐energy surface of Kr–H₂O ranges from the coplanar geometry with the C₂ axis of H₂O nearly perpendicular to the O–Kr axis (T structure) to the H‐bond structure in which Kr faces the H atom of H₂O. Compared to the previously studied Ar–H₂O [J. Chem. Phys. 94, 2807 (1991)] the minimum has more …

Proton–Donor Properties Of Water And Ammonia In Van Der Waals Complexes With Rare‐Gas Atoms. Kr–H2o And Kr–Nh3, G. Chalasinski, M. M. Szczesniak, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

The perturbation theory of intermolecular forces in conjunction with the supermolecular Møller–Plesset perturbation theory is applied to the analysis of the potential‐energy surfaces of Kr–H₂O and Kr–NH₃ complexes. The valleylike minimum region on the potential‐energy surface of Kr–H₂O ranges from the coplanar geometry with the C₂ axis of H₂O nearly perpendicular to the O–Kr axis (T structure) to the H‐bond structure in which Kr faces the H atom of H₂O. Compared to the previously studied Ar–H₂O [J. Chem. Phys. 94, 2807 (1991)] the minimum has more …

Total Maximum Daily Loads And Waste Load Allocations For Las Vegas Bay: Rationale And Calulations, State Of Nevada: Division Of Environmental Protection

Publications (WR)

In September 1987 the Nevada Division of Environmental Protection revised Water Quality Standards for Las Vegas Wash (LVW) and Lake Mead. Standards were set for chlorophyll-a and unionized ammonia in Las Vegas Bay (LVB) (NDEP 1987). The 1986 and 1987 LVB data showed non-achievement of both the chlorophyll-a and unionized ammonia standard which triggered an analysis of total phosphorus and total ammonia Total Maximum Daily Loads and Waste Load Allocations which are presented in this report.

This report is separated into three sections:

1. 1987 Las Vegas Bay Water Quality Conditions and Seasonal Periodicity.

2. Concentration Estimates at Northshore Road …

Optimization Of The Tungstic Acid Denuder Technique For The Measurement Of Atmospheric Ammonia, Patricia Diane Roberts

Chemistry & Biochemistry Theses & Dissertations

Measurement of - atmospheric ammonia with the tungstic acid denuder technique is discussed. Characterization of denuder tubes for manual sampling in terms of, repeatability, reliability and the development of ammonia blank signals was determined. Field testing of the manual sampling apparatus was performed at ground test sites and in a biomass burn smoke plume. Ammonia emissions from biomass burning are discussed.

Las Vegas Wash And Lake Mead Proposed Water Quality Standards: Revisions And Rationale, State Of Nevada: Division Of Environmental Protection

Publications (WR)

Rationale of review and for proposed changes to the Nevada Pollution Control Regulations (NAC 445.1354, 445.1355, 445.1356, 455.1367, 445.1352, 445.1353, 445.1350, 445.1351) before the State Environmental Commission on June 23 and 24, 1987.

Effects Of Basis Set And Electron Correlation On The Calculated Properties Of The Ammonia Dimer, Z. Latajka, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

Ab initio calculations are carried out for (NH₃)₂ with a 6‐31G∗∗(1p,2d) basis set containing diffuse polarization functions. Electron correlation is included via second‐order Møller–Plesset perturbation theory (MP2). At the SCF level, the equilibrium R(NN) distance is 3.54 Å and the interaction energy is −2.35 kcal/mol. Inclusion of correlation enhances the attraction substantially, increasing the energy to −4.05 kcal/mol and reducing the intermolecular separation by 0.20 Å. Comparison with previous results at the SCF level demonstrates a variety of errors including exaggerated dipole moments, underestimation of polarization …

The Limnological Status Of Lake Mead And Lake Mohave Under Present And Future Powerplant Operations Of Hoover Dam, Larry J. Paulson, John R. Baker, James E. Deacon, U.S. Water And Power Resources Service

Publications (WR)

The ever-increasing demand for energy in the southwest has led to a search for additional sources of power generation. Coal-fired powerplants currently provide most of the baseline energy in the southwest, but this must be supplemented with hydroelectric power during periods of peak demand. In order to provide additional peaking power, the U.S. Bureau of Reclamation is considering a number of projects to modify existing hydroelectric facilities, or add new facilities in the Lake Mead Recreation Area.

The Hoover Powerplant Modification Feasibility Investigation was authorized by Congress on December 16, 1975 to determine the feasibility of: (i) adding one or …

The Synthesis And Reactions Of Isatoic P-Linear Bis Anhydride, Willis G. Frick

Chemistry Honors Papers

This 41 page thesis examines methods of synthesizing isatoic anhydrides.