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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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A spectroscopic method was developed for the determination of lignin contents in lignocellulosic biomass, based on a full dissolution of the biomass sample in a cysteine–sulfuric acid solution at room temperature.
Molten Salt and Off-Gas Monitoring Using Combined Spectroscopic Methods
An IR-spectroscopic method was developed for the determination of the degree of nitration of β-cyclodextrin and made it possible to determine the total amount of ONO{sub 2} groups in partial nitrates of β-cyclodextrin. The relative error of the method was 2%. The range of measurement of the degree of nitration was 33–100% of nitrate groups per β-cyclodextrin molecule.
The nonproliferation of nuclear material and the development of safeguards technologies to sample and analyze fuel salt is a challenge for molten salt reactor (MSR) developers. We seek online monitoring using combined spectroscopic methods of two distinct material phases from MSR’s. Molten salt transformed to aerosol phase allows for Light Induced Breakdown spectroscopy (LIBS) without adverse splashing (ARPA-E). Vaporized used nuclear fuel through chlorine-based volatility (CBV) allows for uranium separation based on boiling point differences
Detrimental outgassing occurs due to the radiolitic and thermal degradation of Materials 2. The specific degradation pathway is yet unknown but thought to involve the formation of long lived radical species in addition to stable products. The task in this project is to use a combination of NMR and EPR spectroscopic methods to identify the major degradation products. The end goal is to develop reaction pathways that better inform models of outgassing from Material 2.
A high performance infrared (HPIR) system was developed and demonstrated for the infrared absorption analysis of {sup 235}U and {sup 238}U isotopes in uranium hexafluoride gas samples. Sweeping the quantum cascade laser light source over the spectral range and sampling via a high-rate analog-to-digital converter provided 0.0005 cm-1 spectral resolution, which allowed for high-precision measurements of the isotopic peak shift. A data analysis method was developed using principal component analysis to predict the isotope weight % content of {sup 235}U. The HPIR precision, accuracy, and error were evaluated for a wide range of isotopic ratio samples (0.287 – 93.7 weight % {sup 235}U), and the results were compared to the International Target Values (ITVS) set forth by the International Atomic Energy Agency (IAEA) for non-destructive and destructive analytical techniques. The method meets or surpasses the IAEA ITVs for non-destructive analysis of samples with isotopic content of depleted to highly enriched. The results also demonstrated the capability of the HPIR system to correctly predict the {sup 235}U weight % content of a mislabeled sample whose isotopic distribution was validated by mass spectroscopic measurements. The HPIR measurement is nondestructive and, thus, allows for confirmatory analyses of the exact sample at a designated IAEA lab if higher-resolution or a certified analysis is needed. (author)
Abstract Over the past few decades, a significant amount of research effort has focused on investigating the active site requirements and reaction mechanisms for partial methane oxidation (PMO) to methanol over copper–exchanged zeolites during stoichiometric and stepwise chemical looping routes. More recently, research efforts have expanded to include investigating the PMO reaction in a continuous catalytic regime, primarily focusing on determining the influence of catalyst composition on Cu speciation and structure and, in turn, on PMO rate and selectivity. The structures of candidate Cu active sites are commonly studied using a combination of ex situ and in situ spectroscopic approaches. In this perspective, we critically examine the prior literature on catalytic PMO over Cu–zeolites to identify key knowledge gaps that remain in our understanding as motivation for future research efforts. We identify opportunities for future research to address these gaps by adapting analogous interrogation techniques that have been successfully used to elucidate the active site requirements and mechanistic details of another catalytic redox reaction cycle on Cu–zeolites, the selective catalytic reduction (SCR) of nitrogen oxides (NO x ).
Sustainable biofuels and bioproducts technologies are being developed by fermentation of sugars present and released from pretreated cellulosic biomass to lipids using oleaginous yeasts. Detailed analytical characterization of lipid content through cultivation under different scenarios not only is a bottleneck that slows down development of improved strains and processes, this process also creates significant chemical waste. Since lipids exhibit a dominant, distinct, and unique fingerprint in the NIR spectrum, the use of multivariate linear regression of respective wavelengths can be used for the prediction of intracellular lipid content present in the yeast biomass. In this work, we present data on the multivariate quantitative correlation of NIR spectra with measured lipid content in different oleaginous yeast strains. This work is the first demonstration of the rapid, non-destructive, lipid quantification on as little as 10 mg of yeast biomass in a 96-well format, preventing significant chemical pollution by applying a real-time monitoring process. We demonstrate a distinct correlation of lipid content with the accumulation of select fatty acids of the lipids for 5 different yeast species, among which, for S. cerevisiae and L. starkeyi , in-depth calibration curves were developed from 65 and 154 unique samples, respectively. Laslty, we demonstrate that NIR spectra can be used to accurately predict intracellular lipid content using multivariate linear regression analysis in a manner of minutes, avoiding the need for lengthy chemical analyses that are resource intensive.
The multiconfigurational reaction path features a small barrier for a pyridine-appended iminoguanidinium photoswitch from the Franck–Condon geometry of the E isomer in the π–π* state to the ground state Z photoproduct via the conical intersection.
The factsheet includes sections on benefits, applications and results (TRL level 4-5), anticipated final capabilities, a project description and further suggested reading.
This project was motivated by an overarching goal to elucidate the mechanism of energy and electron transfer that governs the efficient charge separation in photosystem I (PSI) complexes. PSI is a natural light harvesting complex that drives oxygenic photosynthesis in plants, algae, and cyanobacteria. It uses ~300 tightly packed chlorophylls (Chls) to absorb photons, transfer the excitation energy to the reaction center (RC), and generate a charge separated state with near unity quantum efficiency (QE). A better understanding of the mechanism of energy transfer and charge separation in PSI is required for understanding the high QE of natural light harvesting complexes, and it could lead to the further development of artificial photosynthetic systems for solar energy conversion. We applied two-dimensional electronic spectroscopy (2DES) to different cyanobacterial photosystem I complexes to map energy transfer pathways to gain insight into the efficient light harvesting of PSI. We interpreted the 2DES spectra through a global analysis procedure, finding two ultrafast equilibration processes involving red-shifted Chl states. The analysis procedure is general and can be readily applied to other natural and artificial light harvesting systems. In addition to investigating PSI complexes, we also performed measurements on model systems to establish general data analysis procedures for interpreting 2D spectra.
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Disclosed are spectroscopy systems and methods. A spectroscopy system can include a reference cell and a multi-pass sample cell. The reference arm can include an etalon and a reference cavity containing a reference gas. A system can include a fractional sublimation cold trap. Detectors of the reference and sample arms can detect both intensity and absorption spectra of impinging beams. A frequency calibration based on a reference absorption spectra can be used to analyze a sample absorption spectrum. The analysis can provide information regarding an absorption band shift of the sample absorption spectrum, said shift being related to the isotope concentration of the sample.
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Analytical Methods for Biomass Characterization and Conversion is a thorough resource for researchers, students and professors who investigate the use of biomass for fuels, chemicals and products. Advanced analytical chemistry methods and techniques can now provide detailed compositional and chemical measurements of biomass, biomass conversion process streams, intermediates and products. This volume from the Emerging Issues in Analytical Chemistry series brings together the current knowledge on each of these methods, including spectroscopic methods (Fourier Transform Infrared Spectroscopy, Near-infrared Spectroscopy, Solid State Nuclear Magnetic Resonance), pyrolysis (Gas Chromatography/Mass Spectrometry), Liquid Chromatography/High Performance Liquid Chromatography, Liquid Chromatography/Mass Spectrometry, and so on.
A chiral analog of transient absorption spectroscopy, transient circular dichroism (TCD) spectroscopy is an emerging time-resolved method. Both spectroscopic methods can probe the electronic transitions of a sample, and TCD is additionally sensitive to the dynamic aspects of chirality, such as those induced by molecular excitons. Here, we develop a theoretical description of TCD for electronic multi-level models in which the pump pulse is linearly polarized and probe pulse is alternately left- and right-circularly polarized. We derive effective response functions analogous to those often used to describe other four-wave mixing methods and then simulate and analyze TCD spectra for three representative multi-level electronic model systems. We elaborate on the presence and detection of the spectral signatures of electronic coherences.
The proposed research aims to further develop and apply advanced inorganic spectroscopic methods to f-element systems, including well-defined compounds, in-situ generated complexes (including potentially complex mixtures) and transient species. Our long term goal is to develop and apply advanced inorganic spectroscopic methods in f-element chemistry in order to advance our understanding of electronic structure, bonding and reactivity in f-element systems up to the level currently available for d-block systems. A further goal of our program is the training and development of graduate students in the application of advanced inorganic spectroscopic methods for the study of f-element systems, which is critically underdeveloped at US academic institutions.