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At least 73 records · Page 4

Turbulent hydrocarbon combustions kinetics - Stochastic modeling and verification

Idealized reactors, that are designed to ensure perfect mixing and are used to generate the combustion kinetics for complex hydrocarbon fuels, may depart from the ideal and influence the kinetics model performance. A complex hydrocarbon kinetics model that was established by modeling a jet-stirred combustor (JSC) as a perfectly stirred reactor (PSR), is reevaluated with a simple stochastic process in order to introduce the unmixedness effect quantitatively into the reactor system. It is shown that the comparisons of the predictions and experimental data have improved dramatically with the inclusion of the unmixedness effect in the rich combustion region. The complex hydrocarbon kinetics is therefore verified to be mixing effect free and be applicable to general reacting flow calculations.

Wang, T. S.

Transpiration cooled throat for hydrocarbon rocket engines

The objective for the Transpiration Cooled Throat for Hydrocarbon Rocket Engines Program was to characterize the use of hydrocarbon fuels as transpiration coolants for rocket nozzle throats. The hydrocarbon fuels investigated in this program were RP-1 and methane. To adequately characterize the above transpiration coolants, a program was planned which would (1) predict engine system performance and life enhancements due to transpiration cooling of the throat region using analytical models, anchored with available data; (2) a versatile transpiration cooled subscale rocket thrust chamber was designed and fabricated; (3) the subscale thrust chamber was tested over a limited range of conditions, e.g., coolant type, chamber pressure, transpiration cooled length, and coolant flow rate; and (4) detailed data analyses were conducted to determine the relationship between the key performance and life enhancement variables.

May, Lee R.

XPS study of the effect of hydrocarbon contamination on polytetrafluoroethylene (teflon) exposed to atomic oxygen

The presence of hydrocarbon contamination on the surface of polytetrafluoroethylene (PTFE) markedly affects the oxygen uptake, and hence the wettability, of this polymer when exposed to an oxygen plasma. As revealed by X-ray photoelectron spectroscopy (XPS) analysis, the oxygen-to-carbon ratio (O/C) for such a polymer can increase sharply, and correspondingly the fluorine-to-carbon ratio (F/C) can decrease sharply, at very short exposure times; at longer times, however, such changes in the O/C and F/C ratios reverse direction, and these ratios then assume values similar to those of the unexposed PTFE. The greater the extent of hydrocarbon contamination in the PTFE, the larger are the amplitudes of the 'spikes' in the O/C- and F/C-exposure time plots. In contrast, a pristine PTFE experiences a very small, monotonic increase of surface oxidation or O/C ratio with time of exposure to oxygen atoms, while the F/C ratio is virtually unchanged from that of the unexposed polymer (2.0). Unless the presence of adventitious hydrocarbon is taken into account, anomalous surface properties relating to polymer adhesion may be improperly ascribed to PTFE exposed to an oxygen plasma.

Golub, Morton A.

Origin of the hydrocarbon component of interplanetary dust particles

Using experiments as a basis, we have developed a scenario for the origin of the hydrocarbon material of carbonaceous chondrites. This scenario can also serve as an explanation for the origin of the hydrocarbon component of interplanetary dust particles (IDP's). The formation of polycyclic aromatic hydrocarbon (PAH) molecules in the atmospheres of C stars undergoing a late stage of stellar evolution is indicated by the observed unidentified infrared (UIR) emission bands. Those molecules are then transported through interstellar space where they become enriched with D through ion molecule reactions when passing through cold, dark clouds. Many of those PAH molecules are subsequently hydrogenated and cracked in a H-dominated plasma such as would have occurred in the solar nebula. The resulting mixture of alkanes and residual D-rich PAH molecules was then incorporated into the mineral fraction of the parent bodies of carbonaceous chondrites and IDP's.

Wdowiak, Thomas J.

A season of heat, water vapor, total hydrocarbon, and ozone fluxes at a subarctic fen

High-latitude environments are thought to play several critical roles in the global balance of radiatively active trace gases. Adequate documentation of the source and sink strengths for trace gases requires long time series of detailed measurements, including heat and moisture budgets. A fen near Schefferville, Quebec, was instrumented during the summer of 1990 for the measurement of the surface energy, radiation, and moisture balances as well as for eddy correlation estimates of ozone and methane flux. Despite the limited fetch at this site, analysis of the tower flux 'footprint' indicates that at least 80% of the flux observed originates from sources within the fen. Sensible heat fluxes averaged 25% of the daytime net radiation at the site, while the latent heat flux, determined from the energy balance, was 63%; the Bowen ratio varied from 0.2 to 0.8 from day to day, without a seasonal trend to the variation. The competing effects of rooted macrophyte development (with concomitant effects on roughness and transpiration) and the normal shift in synoptic pattern around day 200 to warm, dry conditions results in a lack of net seasonal effect on the energy partitioning. Over the period from days 170 to 230, the evaporation (167 mm) was double the rainfall, while the decline in water level was 107 mm, leaving a net runoff of 0.44 mm/d. The total hydrocarbon flux was 75-120 mg m(exp -2)/d, following a diurnal pattern similar to heat or moisture flux, while the daytime ozone flux was about -1.11 x 10(exp 11) molecules cm(exp -2)/s. A period near the end of the experiment, during week 30, produced the strongest total hydrocarbon flux, associated with warmer deep (1 m) soil temperatures, lower fen water levels, and the late summer shift in wind direction at that time. An early summer 'flush' of total hydrocarbon was not observed.

Moore, Kathleen E.

Near-infrared absorption spectroscopy of interstellar hydrocarbon grains

We present new 3600 - 2700/cm (2.8 - 3.7 micrometer) spectra of objects whose extinction is dominated by dust in the diffuse interstellar medium. The observations presented here augment an ongoing study of the organic component of the diffuse interstellar medium. These spectra contain a broad feature centered near 3300/cm (3.0 micrometers) and/or a feature with a more complex profile near 2950/cm (3.4 micrometers), the latter of which is attributed to saturated aliphatic hydrocarbons in interstellar grains and is the primary interest of this paper. As in our earlier work, the similarity of the absorption bands near 2950/cm (3.4 micrometers) along different lines of sight and the correlation of these features with interstellar extinction reveal that the carrier of this band lies in the dust in the diffuse interstellar medium (DISM). At least 2.5% of the cosmic carbon in the local interstellar medium and 4% toward the Galactic center is tied up in the carrier of the 2950/cm (3.4 micrometer) band. The spectral structure of the diffuse dust hydrocarbon C-H stretch absorption features is reasonably similar to UV photolyzed laboratory ice residues and is quite similar to the carbonaceous component of the Murchison meteorite. The similarity between the DISM and the meteoritic spectrum suggests that some of the interstellar material originally incorporated into the solar nebula may have survived relatively untouched in primitive solar system bodies. Comparisons of the DISM spectrum to hydrogenated amorphous carbon and quenched carbonaceous composite are also presented. The A(sub V)/tau ratio for the 2950/cm (3.4 micrometer) feature is lower toward the Galactic center than toward sources in the local solar neighborhood (approximately 150 for the Galactic center sources vs. approximately 250 for the local ISM sources). A similar trend has been observed previously for silicates in the diffuse medium by Roche & Aitken, suggesting that (1) the silicate and carbonaceous materials in the DISM may be physically correlated and (2) there is either dust compositional variation in the galaxy or galactic variation in the grain population density distribution. We also note a possible absorption feature near 3050/cm (3.28 micrometers), a wavelength position that is characteristic of polycyclic aromatic hydrocarbons (PAHs).

Pendleton, Y. J.

Hydrocarbon Ions in the Ionospheres of Titan and Jupiter

Two examples are given of models of ion chemistry in reducing atmospheres: Titan, which is a satellite of Saturn, and Jupiter, the largest of the gas giants. In both ionospheres, layers of hydrocarbon and/or C, H, and N-containing ions have been predicted to appear, with larger ions dominating at lower altitudes. Altitude profiles are presented for individual C1- and C2-hydrocarbon ions and larger ions that are represented for example, as C(x)H(y)(+) and C(x)H(y)N(x)(+). The accuracy of the predictions is, however, limited by the availability of information about the chemistry of these ions. In addition to rate coefficients and product channels for ion-molecule reactions, dissociative recombination coefficients and branching ratios are needed for many hydrocarbon and and related ions.

Fox, J. L.

The Development of Silicon Carbide Based Hydrogen and Hydrocarbon Sensors

Silicon carbide is a high temperature electronic material. Its potential for development of chemical sensors in a high temperature environment has not been explored. The objective of this study is to use silicon carbide as the substrate material for the construction of chemical sensors for high temperature applications. Sensors for the detection of hydrogen and hydrocarbon are developed in this program under the auspices of Lewis Research Center, NASA. Metal-semiconductor or metal-insulator-semiconductor structures are used in this development. Specifically, using palladium-silicon carbide Schottky diodes as gas sensors in the temperature range of 100 to 400 C are designed, fabricated and assessed. The effect of heat treatment on the Pd-SiC Schottky diode is examined. Operation of the sensors at 400 C demonstrate sensitivity of the sensor to hydrogen and hydrocarbons. Substantial progress has been made in this study and we believe that the Pd-SiC Schottky diode has potential as a hydrogen and hydrocarbon sensor over a wide range of temperatures. However, the long term stability and operational life of the sensor need to be assessed. This aspect is an important part of our future continuing investigation.

Liu, Chung-Chiun

Photochemistry of Saturn's Atmosphere: Hydrocarbon Chemistry and Comparisons with ISO Observations - 1

To investigate the details of hydrocarbon photochemistry on Saturn, we have developed a one-dimensional diurnally averaged model that couples hydrocarbon and oxygen photochemistry, molecular and eddy diffusion, radiative transfer, and condensation. The model results are compared with observations from the Infrared Space Observatory (ISO) to place tighter constraints on molecular abundances, to better define Saturn's eddy diffusion coefficient profile, and to identify important chemical schemes that control the abundances of the observable hydrocarbons in Saturn's upper atmosphere. From the ISO observations, we determine that the column 12 densities of CH3, CH3C2H, and C4H2 above 10 mbar are 4 (sup +2) (sub -1.5) x 10 (exp 13) cm (sup -2), (1.1 plus or minus 0.3) x 10 (exp 15) cm (exp -2), and (1.2 plus or minus 0.3) x 10 (exp 14) cm (sup -2), respectively. The observed ISO emission features also indicate C2H2 mixing ratios of 1.2 (sup +0.9) (sub -0.6) x 10 (exp -6) at 0.3 mbar and (2.7 plus or minus 0.8) x 10 (exp -7) at 1.4 mbar, and a C2H6 mixing ratio of (9 plus or minus 2.5) x 10 (exp -6) at 0.5 mbar. Upper limits are provided for C2H4, CH2CCH2, C3H8, and C6H2 sensitivity of the model results to variations in the eddy diffusion coefficient profile, the solar flux, the CH4 photolysis branching ratios, the atomic hydrogen influx, and key reaction rates are discussed in detail. We find that C4H2 and CH3C2H are particularly good tracers of important chemical processes and physical conditions in Saturn's upper atmosphere, and C2H6 is a good tracer of the eddy diffusion coefficient in Saturn's lower stratosphere. The eddy diffusion coefficient must be smaller than approximately 3 x 10 (exp 4) sq cm s (sup -1) at pressures greater than 1 mbar in order to reproduce the C2H6 abundance inferred from ISO observations. The eddy diffusion coefficients in the upper stratosphere could be constrained by observations of CH3 radicals if the low-temperature chemistry of CH3 were better understood. We also discuss the implications of our modeling for aerosol formation in Saturn's lower stratosphere-diacetylene, butane, and water condense between approximately 1 and 300 mbar in our model and will dominate stratospheric haze formation at nonauroral latitudes. Our photochemical models will be useful for planning observational sequences and for analyzing data from the upcoming Cassini mission.

Moses, Julianne I.

Predictive isotopic biogeochemistry: hydrocarbons from anoxic marine basins

Carbon isotopic compositions were determined for individual hydrocarbons in water column and sediment samples from the Cariaco Trench and Black Sea. In order to identify hydrocarbons derived from phytoplankton, the isotopic compositions expected for biomass of autotrophic organisms living in surface waters of both localities were calculated based on the concentrations of CO2(aq) and the isotopic compositions of dissolved inorganic carbon. These calculated values are compared to measured delta values for particulate organic carbon and for individual hydrocarbon compounds. Specifically, we find that lycopane is probably derived from phytoplankton and that diploptene is derived from the lipids of chemoautotrophs living above the oxic/anoxic boundary. Three acyclic isoprenoids that have been considered markers for methanogens, pentamethyleicosane and two hydrogenated squalenes, have different delta values and apparently do not derive from a common source. Based on the concentration profiles and isotopic compositions, the C31 and C33 n-alkanes and n-alkenes have a similar source, and both may have a planktonic origin. If so, previously assigned terrestrial origins of organic matter in some Black Sea sediments may be erroneous.

Non-NASA Center

Hydrocarbon photochemistry in the upper atmosphere of Jupiter

The hydrocarbon photochemistry in the upper atmosphere of Jupiter is investigated using a one-dimensional, photochemical-diffusive, and diurnally averaged model. The important chemical cycles and pathways among the major species are outlined and a standard model for the North Equatorial Belt region is examined in detail. It is found that several traditionally dominant chemical pathways among the C and C2 species are replaced in importance by cycles involving C-C4 species. The pressure and altitude profiles of mixing ratios for several observable hydrocarbon species are compared with available ultraviolet- and infrared-derived abundances. The results of sensitivity studies on the standard model with respect to variations in eddy diffusion profile, solar flux, atomic hydrogen influx, latitude, temperature, and important chemical reaction rates are presented. Measured and calculated airglow emissions of He at 584 angstroms and H at 1216 angstroms are also used to provide some constraints on the range of model parameters. The relevance of the model results to the upcoming Galileo mission is briefly discussed. The model is subject to considerable improvement; there is a great need for laboratory measurements of basic reaction rates and photodissociation quantum yields, even for such simple species as methylacetylene and allene. Until such laboratory measurements exist there will be considerable uncertainty in the understanding of the C3 and higher hydrocarbons in the atmospheres of the jovian planets.

NASA Discipline Number 52-20

Simplified Modeling of Oxidation of Hydrocarbons

A method of simplified computational modeling of oxidation of hydrocarbons is undergoing development. This is one of several developments needed to enable accurate computational simulation of turbulent, chemically reacting flows. At present, accurate computational simulation of such flows is difficult or impossible in most cases because (1) the numbers of grid points needed for adequate spatial resolution of turbulent flows in realistically complex geometries are beyond the capabilities of typical supercomputers now in use and (2) the combustion of typical hydrocarbons proceeds through decomposition into hundreds of molecular species interacting through thousands of reactions. Hence, the combination of detailed reaction- rate models with the fundamental flow equations yields flow models that are computationally prohibitive. Hence, further, a reduction of at least an order of magnitude in the dimension of reaction kinetics is one of the prerequisites for feasibility of computational simulation of turbulent, chemically reacting flows. In the present method of simplified modeling, all molecular species involved in the oxidation of hydrocarbons are classified as either light or heavy; heavy molecules are those having 3 or more carbon atoms. The light molecules are not subject to meaningful decomposition, and the heavy molecules are considered to decompose into only 13 specified constituent radicals, a few of which are listed in the table. One constructs a reduced-order model, suitable for use in estimating the release of heat and the evolution of temperature in combustion, from a base comprising the 13 constituent radicals plus a total of 26 other species that include the light molecules and related light free radicals. Then rather than following all possible species through their reaction coordinates, one follows only the reduced set of reaction coordinates of the base. The behavior of the base was examined in test computational simulations of the combustion of heptane in a stirred reactor at various initial pressures ranging from 0.1 to 6 MPa. Most of the simulations were performed for stoichiometric mixtures; some were performed for fuel/oxygen mole ratios of 1/2 and 2.

Bellan, Josette

Rocket-Plume Spectroscopy Simulation for Hydrocarbon-Fueled Rocket Engines

The UV-Vis spectroscopic system for plume diagnostics monitors rocket engine health by using several analytical tools developed at Stennis Space Center (SSC), including the rocket plume spectroscopy simulation code (RPSSC), to identify and quantify the alloys from the metallic elements observed in engine plumes. Because the hydrocarbon-fueled rocket engine is likely to contain C2, CO, CH, CN, and NO in addition to OH and H2O, the relevant electronic bands of these molecules in the spectral range of 300 to 850 nm in the RPSSC have been included. SSC incorporated several enhancements and modifications to the original line-by-line spectral simulation computer program implemented for plume spectral data analysis and quantification in 1994. These changes made the program applicable to the Space Shuttle Main Engine (SSME) and the Diagnostic Testbed Facility Thruster (DTFT) exhaust plume spectral data. Modifications included updating the molecular and spectral parameters for OH, adding spectral parameter input files optimized for the 10 elements of interest in the spectral range from 320 to 430 nm and linking the output to graphing and analysis packages. Additionally, the ability to handle the non-uniform wavelength interval at which the spectral computations are made was added. This allowed a precise superposition of wavelengths at which the spectral measurements have been made with the wavelengths at which the spectral computations are done by using the line-by-line (LBL) code. To account for hydrocarbon combustion products in the plume, which might interfere with detection and quantification of metallic elements in the spectral region of 300 to 850 nm, the spectroscopic code has been enhanced to include the carbon-based combustion species of C2, CO, and CH. In addition, CN and NO have spectral bands in 300 to 850 nm and, while these molecules are not direct products of hydrocarbon-oxygen combustion systems, they can show up if nitrogen or a nitrogen compound is present as an impurity in the propellants and/or these can form in the boundary layer as a result of interaction of the hot plume with the atmosphere during the ground testing of engines. Ten additional electronic band systems of these five molecules have been included into the code. A comprehensive literature search was conducted to obtain the most accurate values for the molecular and the spectral parameters, including Franck-Cordon factors and electronic transition moments for all ten band systems. For each elemental transition in the RPSSC, six spectral parameters - Doppler broadened line width at half-height, pressure-broadened line width at half-height, electronic multiplicity of the upper state, electronic term energy of the upper state, Einstein transition probability coefficient, and the atomic line center - are required. Input files have been created for ten elements of Ni, Fe, Cr, Co, Cu, Ca, Mn, Al, Ag, and Pd, which retain only relatively moderate to strong transitions in 300 to 430 nm spectral range for each element. The number of transitions in the input files is 68 for Ni; 148 for Fe; 6 for Cr; 87 for Co; 1 for Ca; 3 for Mn; 2 each for Cu, Al, and Ag; and 11 for Pd.

Tejwani, Gopal D.

Development of Tailored Hydrocarbon-Based Pentablock Copolymer Membranes for Sodium-Polysulfide Flow Batteries

Long-duration energy storage (LDES) technologies are pivotal for the adoption of renewables like wind and solar. Non-aqueous redox flow batteries (NARFBs) with a sodium-polysulfide hybrid system feature high energy density independent of power density, yet face challenges with polysulfide shuttling. This study investigates a hydrocarbon-based penta-block copolymer membrane, Nexar, to mitigate crossover effects by balancing TFSI conversion and their crosslink density. The membranes are annealed to induce crosslinking for reducing electrolyte uptake and enhancing mechanical stability while demonstrating excellent ionic conductivity. The hydrocarbon-based membranes address environmental concerns associated with perfluoroalkyl substances and improve the performance and durability of NARFBs. In conclusion, our findings suggest that annealed Nexar membranes with tailored TFSI functionality offer a scalable, cost-effective solution for enhancing the efficiency of high-capacity energy storage systems, pivotal for grid integration of renewable sources.

25 ENERGY STORAGE

Molecular Mass Growth Processes to Polycyclic Aromatic Hydrocarbons through Radical–Radical Reactions Exploiting Photoionization Reflectron Time-of-Flight Mass Spectrometry

Polycyclic aromatic hydrocarbons (PAHs) represent critical building blocks in molecular mass growth processes to carbonaceous nanoparticles, referred to as interstellar and circumstellar grains along with soot particles in astrophysical environments and combustion systems, respectively. Recent advancements on elucidating elementary steps to PAHs have utilized reactions of aromatic radicals, resonantly stabilized free radicals, and aliphatic radicals with closed shell hydrocarbons. However, the role of radical–radical reactions (RRRs) leading to PAHs has remained largely unexplored on the molecular level due to preceding experimental challenges in producing sufficiently high number densities of radical reactants for isomer-selective detection of products from bimolecular and termolecular reactions. This Account offers the latest developments in our knowledge on the mechanisms and pathways to PAHs via RRRs probed in a chemical microreactor at temperatures as high as 1600 K. Product preservation in a molecular beam coupled with synchrotron vacuum ultraviolet photoionization reflectron time-of-flight mass spectrometry and photoelectron photoion coincidence spectroscopy enabled isomer-selective detection of PAHs of up to three rings by their photoionization efficiency curves, which were fit with a linear combination of reference curves for identification. Experiments were combined with computational fluid dynamics modeling of the physicochemical processes in the microreactor, as well as high-level electronic structure calculations to reveal the reaction pathways of each system. Six distinct reaction mechanisms were discovered in this work: propargyl addition─benzannulation (PABA), methyl addition─ring expansion (MARE), cyclopentadienyl addition─naphthylization (CPAN), fulvenallenyl addition─cyclization─aromatization (FACA), benzyl addition─aromatization (BAA), and phenyl addition─pentacyclization (PAP). By systematically varying the number of carbon atoms in the radical reactants, molecular mass growth processes involving reactions between radicals with odd numbers of carbon atoms access aromatics carrying one, two, or three six-membered rings, whereas reactions between even- and odd-carbon-numbered radicals produce aromatics combining five- and six-membered rings. Our investigations reveal unconventional cycloadditions on excited state triplet surfaces, additions of radicals to low spin density carbon-centered radicals, spiroaromatic and fulvene-type intermediates, and highly strained bicyclic reaction intermediates, challenging current perceptions of PAH molecular mass growth processes. All of the listed mechanisms, except for FACA, feature endoergic reactions or barriers which lie above the separated reactants and therefore might be central to circumstellar environments of carbon-rich stars and planetary nebulae as their descendants, but they play no role in the gas phase of cold molecular clouds where temperatures as low as 10 K dominate. Altogether, this work provides detailed reaction mechanisms of PAH growth processes, advancing our knowledge of the chemistry of carbonaceous matter in the universe.

Addition reactions

Oxidation, Oligomerization, Isomerization of Hydrocarbons Using Metal–Organic Frameworks

The selective conversion of hydrocarbons into higher-value fuels and feedstocks is essential to the global energy and chemistry landscape. While porous inorganic materials have enabled significant progress in these transformations, achieving high activity, selectivity, and stability under industrially relevant conditions remains challenging. Metal–organic frameworks (MOFs) are a promising platform to precisely control active-site environments and interrogate structure–function relationships due to their crystallinity, tunability, and porosity. This review highlights relevant hydrocarbon transformations and outlines the general mechanisms for oxidation, oligomerization, and isomerization. Metal node acidity, confinement effects, and active site dispersion are analyzed for their impact on reactivity and selectivity across the three reactions. Lastly, we discuss current limitations in catalyst stability and offer a perspective on integrating reticular chemistry with high-throughput experimentation and machine learning to accelerate the discovery and design of robust, next-generation MOF catalysts.

Catalysts

Customizable Aperture Geometry in Metal–Organic Frameworks for Kinetic Hydrocarbon Separation

Precise control of aperture dimensions is crucial in adsorptive separations of hydrocarbons, as it directly affects key parameters such as selectivity, capacity, diffusion, and recyclability. The development of metal–organic frameworks (MOFs) has enabled the fine-tuning of local pore environments to address important hydrocarbon separations. However, customizing the aperture geometry to tune the kinetic separation performance remains challenging. Here, we deploy a mixed-linker synthesis strategy, combining long and short linkers on fcu net Zr-MOFs with equilateral triangular apertures to construct isoreticular multivariate MOFs, NU-415 and NU-416, with tailored isosceles triangular apertures suitable for the separation of hexane isomers. Sorption, liquid batch separation, and X-ray diffraction measurements demonstrate significantly improved selectivity, capacity, stability, and recyclability of NU-415 and NU-416 compared with Zr-muconate and MOF-801. Notably, both NU-415 and NU-416 achieve uptake capacities of 2.2 mmol g –1 in 1 min with an n-hexane to 2,2-dimethylbutane selectivity over 200 in an equimolar ternary mixture at ambient conditions, comparable to leading reported materials. Mechanistic studies confirm that separation performance is predominantly governed by significant kinetic differences rather than by thermodynamics. Furthermore, the successful customization of aperture geometry not only enables superior linear to monobranched hexane selectivity in NU-415 but also demonstrates the mixed-linker synthesis strategy as a promising solution for precise and predictable pore architecture control in MOFs.

Adsorption

Catalyst Development to Overcome Barriers for Commercialization of Synthetic High-Octane Hydrocarbons: Cooperative Research and Development (Final Report)

In recent years, researchers at the National Renewable Energy Laboratory (NREL) and the University of California Berkeley (UC Berkeley) have independently developed catalysts that convert methanol and dimethyl ether into alkylate-like hydrocarbons with a high-octane value, and both have developed intellectual property around these chemical transformations. Both UC Berkeley and NREL wish to see their technologies commercialized to address a number of domestic and international energy challenges. The technologies developed by NREL and UC Berkeley are complimentary but neither have moved beyond the laboratory scale due to remaining challenges with the catalyst activity and selectivity, and/or with the reaction engineering associated with maximizing the yield of the high-value product. NREL and UC Berkeley wish to collaboratively through a shared resources CRADA to solve issues related to the scale-up and process integration of their high-octane hydrocarbon technologies, thus enabling future licensing of the technology to an industry partner.

10 SYNTHETIC FUELS