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Methods of converting ethane to ethylene at relatively low temperatures are described. IrO2-based catalysts are used in the conversion. Methods of converting a base gas to a first gas by exposing the base gas to an IrO2-based catalyst and forming the first gas are described. The base gas can be an alkane. The first gas can include an alkene, an alkyne, an alcohol, an aldehyde, or combinations thereof.
Neural manifolds summarize the intrinsic structure of the information encoded by a population of neurons. Advances in experimental techniques have made simultaneous recordings from multiple brain regions increasingly commonplace, raising the possibility of studying how these manifolds relate across populations. However, when the manifolds are nonlinear and possibly code for multiple unknown variables, it is challenging to extract robust and falsifiable information about their relationships. We introduce a framework, called the method of analogous cycles, for matching topological features of neural manifolds using only observed dissimilarity matrices within and between neural populations. We demonstrate via analysis of simulations and in vivo experimental data that this method can be used to correctly identify multiple shared circular coordinate systems across both stimuli and inferred neural manifolds. Conversely, the method rejects matching features that are not intrinsic to one of the systems. Further, as this method is deterministic and does not rely on dimensionality reduction or optimization methods, it is amenable to direct mathematical investigation and interpretation in terms of the underlying neural activity. We thus propose the method of analogous cycles as a suitable foundation for a theory of cross-population analysis via neural manifolds.
Terpenes and terpenoids, hydrocarbons present in many types of biomass, havean extensive history of use as fuels, binders, polymers, pharmaceuticals and therapeutics, flavors, and fragrances. The structure of terpenes and terpenoids makes them amenable for use as a feedstock for catalytic conversion to other materials and also useful in their own right in the pharmaceutical, polymer, fuel, and chemical industries. There are many other plants and animals that produce terpenes that are present in extractable oils, most of which are used raw or as feedstocks for catalytic conversion to other materials in the fine chemical, flavor, and fragrance industry. This chapter discusses the sources, isolation and the catalytic methods for conversion of terpenes to fine chemicals and materials. Processes used to obtain turpentine are also discussed. The conversion of terpenes to resins, polymers, and other chemicals and materials is the focus of a wide variety of catalysis and materials research.
A method of thermoelectric power generation by converting heat to electricity via the use of a ZrCoBi-based thermoelectric material, wherein a thermoelectric conversion efficiency of the ZrCoBi-based thermoelectric material is greater than or equal to 7% at a temperature difference of up to 800 K.
We introduce operando quantitative electrochemical fluorescence state of charge mapping (QEFSM), a non-invasive technique to study operating electrochemical systems along with a new design of optically transparent microfluidic redox flow cells compatible with the most demanding optical requirements. QEFSM allows quantitative mappings of the concentration of a particular oxidation state of a redox-active species within a porous electrode during its operation. In this study, we used confocal microscopy to map the fluorescence signal of the reduced form of 2,7-anthraquinone disulfonate (AQDS) in a set of multistep-chronoamperometry experiments. Calibrating these images and incorporating an analytical model of quinhydrone heterodimer formation with no free parameters, and accounting for the emission of each species involved, we determined the local molecular concentration and the state of charge (SOC) fields within a commercial porous electrode during operation. With this method, electrochemical conversion and species advection, reaction and diffusion can be monitored at heretofore unprecedented transverse and axial resolution (1 μm and 25 μm, respectively) at frame rates of 0.5 Hz, opening new routes to understanding local electrochemical processes in porous electrodes. Here, we observed pore-scale SOC inhomogeneities appearing when the fraction of electroactive species converted in a single pass through the electrode becomes large.
Low-boiling alkylamines such as butylamine offer promise as effective biomass pretreatment solvents that can be readily recovered and recycled; however, their capability to support microbial conversion of nutrients present in hydrolysates represents an important area for investigation. Here we employed butylamine to pretreat poplar biomass and characterize its effects on the release of fermentable sugars after solvent removal and enzymatic hydrolysis, as well as the biocompatibility of the produced hydrolysates with three organisms commonly used as bioconversion hosts. We observed that residual butylamine and the derivative butylacetamide were present in high enough concentrations to exert toxicity to strains of Aspergillus niger, Pseudomonas putida, and Rhodosporidium toruloides that produce malic acid, isoprenol and bisabolene, respectively. Removal of the toxic compounds by charcoal filtration and nutrient supplementation resulted in a hydrolysate containing >100 g L −1 of sugars that enabled strong growth, substrate consumption and bioproduct accumulation, outperforming defined cultivation media. This is the first demonstration of a butylamine-based deconstruction process for poplar biomass at a pilot-scale to achieve conversion of high sugar concentrations to valuable bioproducts with engineered microbes.
Production of biofuels, bioproducts, and bioenergy requires a well-characterized, stable, and reasonably uniform biomass supply and well-established supply chains for shipping biomass from farm fields to biorefineries, while achieving year-round production targets. Preserving and stabilizing biomass feedstock during storage is a necessity for cost-effective and sustainable biofuel production. Ensiling is a common storage method used to preserve and even improve forage quality; however, the impact of ensiling on biomass physical and chemical properties that influence bioconversion processes has been variable. Our objective in this work was to determine the effects of ensiling on lignocellulosic feedstock physicochemical properties and how that influences bioconversion requirements. We observed statistically significant decreases (p < 0.05) in the content of two major structural carbohydrates (glucan and xylan) of 5 and 8%, respectively, between the ensiled and non-ensiled materials. We were unable to detect differences in sugar yields from structural carbohydrates after pretreatment and enzymatic hydrolysis of the ensiled materials compared to non-ensiled controls. Based on this work, we conclude that ensiling the corn stover did not change the bioconversion requirements compared to the control samples and incurred losses of structural carbohydrates. At the light microscopy level, ensiled corn stover exhibited little structural change or relocation of cell wall components as detected by immunocytochemistry. However, more subtle structural changes were revealed by electron microscopy, as ensiled cell walls exhibit ultrastructural characteristics such as wall delimitation intermediate between non-ensiled and dilute-acid-pretreated cell walls. These findings suggest that alternative methods of conversion, such as deacetylation and mechanical refining, could take advantage of lamellar defects and may be more effective than dilute acid or hot water pretreatment for biomass conversion of ensiled materials.
Disclosed herein are engineered cells and cell-free systems, compositions, and methods for conversion of isopentenols to isoprenoid precursors.
Fast-pairwise neutrino oscillations potentially affect many aspects of core-collapse supernovae (CCSNe): the explosion mechanism, neutrino signals, and nucleosynthesis in the ejecta. This particular mode of collective neutrino oscillations has a deep connection to the angular structure of neutrinos in momentum space; for instance, the appearance of electron-neutrino lepton number (ELN) angular crossings in momentum space is a good indicator of the occurrence of flavor conversions. However, many multidimensional CCSN simulations are carried out with approximate neutrino transport (such as two-moment methods), which limits access to the angular distributions of neutrinos, i.e., inhibits ELNcrossing searches. In this paper, we develop a new method of searching for ELN crossing in these CCSN simulations. The required data is the zeroth and first angular moments of neutrinos and the matter profile, all of which are available in CCSN models with the two-moment method. One of the novelties of our new method is the use of a ray-tracing neutrino transport to determine ELNs in the direction of the stellar center. It is designed to compensate for shortcomings of the crossing searches with only two angular moments. We assess the capability of the method by carrying out a detailed comparison with results of full Boltzmann neutrino transport in 1D and 2D CCSN models. In this work, we find that the ray-tracing neutrino transport improves the accuracy of crossing searches; indeed, the appearance/disappearance of the crossings is accurately detected even in the region of forward-peaked angular distributions. The new method is computationally cheap and has the benefit of efficient parallelization; hence, it will be useful for ELN-crossing searches in any CCSN models that employ two-moment neutrino transport.
The conversion of lignocellulosic-derived carbon sources via the creation of a CO2 rich syngas stream provides means to produce liquid hydrocarbon fuels, with advancements intended to create a cost-competitive method of sequential conversion via methanol and dimethyl ether intermediates. Previously developed methods with Cu/Beta zeolites enabled the conversion of dimethyl ether to linear and branched hydrocarbons, with high selectivities towards products with high-octane fuel properties. Through process intensification, use of a single reactor to convert syngas to methanol and DME, then further to hydrocarbons, allows for reduced capitol and operation cost for the same chemistries that typically use 3 reactors instead of one. Utilization of commercially available methanol synthesis catalyst (Megamax 800, Clariant, CZA) and methanol dehydration catalyst with the Cu/Beta catalyst allowed for conversion into hydrocarbon products in this single reactor set up. Reactor configuration with CZA and alumina catalysts mixed with or stacked in a bed physically above the Cu/Beta catalyst provided a system for the direct conversion of the syngas to hydrocarbons with improved yields and selectivities with higher net C1 conversions for stacked bed configurations. Through control of the process conditions, greater conversion of C1 oxygenate intermediates (i.e., methanol and dimethyl ether) was achieved with concomitant increase in selectivities towards gasoline and jet fuel range olefin and paraffin products. Lower hydrocarbon number products and less naphthenes were observed for the conversion of syngas compared to DME conversion on only the Cu/Beta system with prominent selectivities observed for C4, C5, and C7 hydrocarbons. The DME and methanol formation rates, with understanding of the equilibria for both processes, were determined as important factors to allow for improved performance of the Cu/Beta. Determination of the factors which allow for tuning of selectivities and yields created an intensified process which allows for a "market-responsive" biorefinery design, which can produce high octane gasoline or jet fuel range hydrocarbons to meet demands for a more sustainable route to liquid fuels.
Disclosed herein are methods for improving ethanol production from biomass sources by blocking cellulose from binding to lignin.
Disclosed herein are methods for improving ethanol production from biomass sources by blocking cellulose from binding to lignin.
The goal of this research is to develop a numerical code for translation between the current standard, Wigner-Eisenbud R-matrix parameters and a novel pole-representation of cross sections. The method follows Ducru et al. and constructs the conversion between these parametric representations of the scattering and reaction data. This pole representation, which expresses cross sections as a sum of simple poles (and their attendant residues), is examined in the context of the advantages provided by this compact, computationally efficient representation. These advantages include the ability to doppler broaden cross sections on-the-fly as well as a lower memory footprint when generating cross sections, an attractive feature to those interested in parallel GPU based Monte Carlo. Some conversion methods between R-matrix parameters and S-matrix poles have relied on curve fitting techniques. It is unknown weather these numerical methods necessarily preserve certain underlying physics properties of the standard R-matrix cross section model (such as unitarity). The direct conversion studied here aim to preserve such properties. This knowledge is of interest for future work into the generation of resonance parameter sensitivities.
Municipal solid waste (MSW) offers a significant opportunity for energy conversion pathways. Paper and plastic waste can be converted and upgraded to fuels through low- and high-temperature conversion, respectively. The objective of this study is to develop MSW paper and plastic decontamination methods to increase conversion efficiencies.
A thermionic energy converter, preferably including an anode and a cathode. An anode of a thermionic energy converter, preferably including an n-type semiconductor, one or more supplemental layers, and an electrical contact. A method for work function reduction and/or thermionic energy conversion, preferably including inputting thermal energy to a thermionic energy converter, illuminating an anode of the thermionic energy converter, thereby preferably reducing a work function of the anode, and extracting electrical power from the system.
A thermionic energy converter, preferably including an anode and a cathode. An anode of a thermionic energy converter, preferably including an n-type semiconductor, one or more supplemental layers, and an electrical contact. A method for work function reduction and/or thermionic energy conversion, preferably including inputting thermal energy to a thermionic energy converter, illuminating an anode of the thermionic energy converter, thereby preferably reducing a work function of the anode, and extracting electrical power from the system.
This report summarizes the technical accomplishments of the four-year research project “Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion” (Award No. DE-FE0032092), conducted at Howard University and the University of Houston (subawardee) from September 2021 to August 2025. The project successfully achieved all four major objectives: 1. 3D Structural Characterization – Developed 3D optical imaging and mechanical sectioning methods to characterize catalyst distribution and support morphology in nickel foam substrates. Successfully reconstructed 3D geometries and imported them into COMSOL Multiphysics for electromagnetic simulations. 2. EM Hotspot Simulation – Created all-frequency stable electromagnetic formulations and 3D nodal discontinuous Galerkin (NDG) methods for coupled electromagnetic-thermal-fluid problems in multiscale catalytic media. Demonstrated stable solutions from DC to microwave frequencies. 3. Multiphysics Coupling – Developed multiscale simulation methods coupling FEM electromagnetic solvers with thermal transport equations. Reactive molecular dynamics (ReaxFF MD) simulations were performed to investigate catalytic reaction mechanisms at the atomistic level. Demonstrated electromagnetic-thermal co-simulation capabilities for porous catalyst structures. 4. System Optimization – Designed and optimized EM-assisted catalytic systems using nickel foam and carbon foam structures, demonstrating significant temperature increases due to microwave heating. Observed and characterized plasma generation in carbon fiber catalysts. Investigated multiple reaction chamber geometries for improved microwave energy deposition. The project produced significant scientific contributions including 15+ peer-reviewed publications, trained multiple Ph.D. students and undergraduate researchers, and advanced the understanding of microwave-assisted hydrogen production from fossil fuels.
The simulation of radiation effects in materials broadly falls into two categories. At short time and length scales lies the modeling of primary radiation damage, such as point defect creation, energy deposition, and ballistic mixing. This is followed by the modeling at longer time scales of thermally activated microstructure evolution and defect reactions, such as recombination, clustering, and coarsening. The binary collision Monte Carlo method is an established, numerically efficient method for the computation of primary radiation damage. Conversely, the phase field method is a state of the art method for microstructure evolution on longer time and length scales. Here we present a concurrent coupling of these two methods, overcoming the difference between the discrete object Monte Carlo paradigm for primary radiation damage and the continuum field variable approach for microstructure evolution. The coupling is bidirectional, in which the microstructure evolution in the MOOSE finite element frame- work provides the spatial scattering data set for the charged particle trans- port and receives point defect, mass transport, and heat source terms from the simulated collision cascades that contribute to the field variable evolution. The concurrent coupling scheme is implemented in the code Magpie and demonstrated by investigating patterning for a model irradiated immiscible binary alloy. The results from the coupled binary collision Monte Carlo/phase field simulations reproduce the results of analytical models for phase separation, phase mixing, and patterning, supporting the approach and indicating its utility for modeling real materials systems.