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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

C-12/C-13 Ratio in Ethane on Titan and Implications for Methane's Replenishment

The C-12/C-13 abundance ratio in ethane in the atmosphere of Titan has been measured at 822 cm(sup -1) from high spectral resolution ground-based observations. The value 89(8), coincides with the telluric standard and also agrees with the ratio seen in the outer planets. It is almost identical to the result for ethane on Titan found by the composite infrared spectrometer (CIRS) on Cassini. The C-12/C-13 ratio for ethane is higher than the ratio measured in atmospheric methane by Cassini/Huygens GCMS, 82.3(l), representing an enrichment of C-12 in the ethane that might be explained by a kinetic isotope effect of approximately 1.1 in the formation of methyl radicals. If methane is being continuously resupplied to balance photochemical destruction, then we expect the isotopic composition in the ethane product to equilibrate at close to the same C-12/C-13 ratio as that in the supply. The telluric value of the ratio in ethane then implies that the methane reservoir is primordial.

Jennings, Donald E.↗
NASA NTRS2019

Ethane in Titan's Stratosphere from Cassini CIRS Far- and Mid-Infrared Spectra

The Cassini Composite Infrared Spectrometer (CIRS) observed thermal emission in the far- and mid-infrared (from 10 to 1500 cm(exp −1)), enabling spatiotemporal studies of ethane on Titan across the span of the Cassini mission from 2004 through 2017. Many previous measurements of ethane on Titan have relied on modeling the molecule’s mid-infrared ν(sub 12) band, centered on 822 cm(exp −1). Other bands of ethane at shorter and longer wavelengths were seen, but have not been modeled to measure ethane abundance. Spectral line lists of the far-infrared ν(sub 4) torsional band at 289 cm(exp −1) and the mid-infrared ν(sub 8) band centered at 1468 cm(exp −1) have recently been studied in the laboratory. We model CIRS observations of each of these bands (along with the ν(sub 12) band) separately and compare the retrieved mixing ratios from each spectral region. Nadir observations of the ν(sub 4) band probe the low stratosphere below 100 km. Our equatorial measurements at 289 cm(exp −1) show an abundance of (1.0±0.4)x10(exp −5) at 88 km from 2007 to 2017. This mixing ratio is consistent with measurements at higher altitudes, in contrast to the depletion that many photochemical models predict. Measurements from the ν(sub 12) and ν(sub 8) bands are comparable to each other, with the ν(sub 12) band probing an altitude range that extends deeper in the atmosphere. We suggest that future studies of planetary atmospheres may observe the ν(sub 8) band, enabling shorter wavelength studies of ethane. There may also be an advantage to observing both the ethane ν(sub 8) band and nearby methane ν(sub 4) band in the same spectral window.

Lombardo, Nicholas A.↗
NASA NTRS2019

Physical Simulation of Rocket Exhaust Aerodynamics Using Heated Ethane: Conceptual Foundations

Heated ethane (C2H6) has been proposed as an alternative to inert gases for use as a motive fluid in the experimental simulation of rocket exhaust plumes. By adjusting stagnation temperature, the isentropic exponent of ethane can be tuned to approximate those produced by common rocket propellants including hydrogen, hypergols, alcohols, and hydrocarbons. As a result, ethane can be made to follow a nozzle expansion process which is nearly identical to realistic rocket engine flow fields. Additionally, its high auto-ignition temperature and resistance to condensation enable the testing of expansion ratios much larger than conventional inertgas testing. NASA SSC has performed quasi-one-dimensional analyses using the Chemical Equilibrium with Applications (CEA) code as a preliminary means to compare flow fields produced by non-reacting ethane to those of reacting combustion products. A LO2/LH2 rocket engine operating at a chamber pressure of 5.0 MPa and a mixture ratio of 6.1 was used as an example case to demonstrate ethane’s efficacy as a simulant. Errors for key similarity parameters were compared to legacy cold-flow test methods. Additional errors induced by machining tolerances and chemical impurities were also examined. Results suggest that at a 3% geometric scale and ~500 K ethane stagnation temperature, an error of less than 2.5% throughout the flow field is realistically achievable along the dimensions of Mach number, Reynolds number, pressure ratio, and isentropic exponent. The development of an experimental test bed for validation of this configuration is currently underway.

Jones, Daniel R.↗
NASA NTRS2019

Ethane in Titan's Stratosphere from Cassini CIRS Far- and Mid-infrared Spectra

The Cassini Composite Infrared Spectrometer (CIRS) observed thermal emission in the far- and mid-infrared (from 10 to 1500 cm−1), enabling spatiotemporal studies of ethane on Titan across the span of the Cassini mission from 2004 through 2017. Many previous measurements of ethane on Titan have relied on modeling the molecule's mid-infrared ν12 band, centered on 822 cm−1. Other bands of ethane at shorter and longer wavelengths were seen, but have not been modeled to measure ethane abundance. Spectral line lists of the far-infrared ν4 torsional band at 289 cm−1 and the mid-infrared ν8 band centered at 1468 cm−1 have recently been studied in the laboratory. We model CIRS observations of each of these bands (along with the ν12 band) separately and compare the retrieved mixing ratios from each spectral region. Nadir observations of the ν4 band probe the low stratosphere below 100 km. Our equatorial measurements at 289 cm−1 show an abundance of (1.0 ± 0.4) × 10−5 at 88 km from 2007 to 2017. This mixing ratio is consistent with measurements at higher altitudes, in contrast to the depletion that many photochemical models predict. Measurements from the ν12 and ν8 bands are comparable to each other, with the ν12 band probing an altitude range that extends deeper in the atmosphere. We suggest that future studies of planetary atmospheres may observe the ν8 band, enabling shorter wavelength studies of ethane. There may also be an advantage to observing both the ethane ν8 band and nearby methane ν4 band in the same spectral window.

Nicholas A Lombardo↗
DOE OSTI2021

Electrochemically Engineered, Highly Energy-Efficient Conversion of Ethane to Ethylene and Hydrogen below 550 °C in a Protonic Ceramic Electrochemical Cell

Ethylene is one of the largest building blocks in the petrochemical industry, mainly produced by steam cracking of ethane derived from naphtha or shale gas at high temperatures (>800 °C). Despite its technical maturity and economic competitiveness, the thermal steam cracking of ethane is highly energy-intensive. In this work, an electrochemically engineered direct conversion process of ethane to produce hydrogen and ethylene using a planar protonic ceramic membrane reactor with a bi-functional three-dimensional catalytic electrode is reported, with a single-pass ethane conversion of 40% and ethylene yield of 26.7% at 550 °C. Compared with the industrial ethane steam cracking, this method saves process energy input by 45.1% and improves process energy efficiency by 50.6%, based on comprehensive process simulation using Aspen Plus software. Further, steam electrolysis treatment under the solid oxide electrolysis cell mode can regenerate the system’s catalytic performance and significantly alleviate catalytic degradation by 74%, demonstrating high techno-economic viability.

bi-functional electrode↗
DOE OSTI2025

Investigation of Solid Particle Reactors for Nonoxidative Dehydrogenation of Ethane: Toward Solar Thermal Ethylene Production

Concentrating solar power plants can generate renewable heat at temperatures well above those of most industrial processes. Ceramic particles irradiated with concentrated sunlight can store high-quality sensible heat and transfer this to power generation systems. These concepts and materials hold great potential to also enable thermal processes in the chemical industry, but effective strategies for transferring heat from thermal energy storage media into chemical reactors are still under development. This present work evaluated the thermal and chemical compatibility of various solid particle media (including quartz, bauxite, and alumina particles) integrated directly into tube reactors and the subsequent effects on reactor performance for the nonoxidative dehydrogenation of ethane reaction. Empty tube reactors without loaded particles (representing conventional ethane cracking coils) showed significant heat transfer limitations as the tube diameter was scaled. The incorporation of media into the reactor significantly aided heat transfer to the gaseous ethane reactant and increased its conversion by as much as 10% at similar space velocities. Despite direct contact with hydrocarbon gases, alumina and quartz media showed negligible coke formation. Even during reaction in 100% ethane feed gas at 825 °C, the average selectivity of the coke product was only 0.57% when using the quartz media. These materials further demonstrated excellent thermal stability during subsequent reoxidation in air at 800 °C, which simulated the reheating of particles in a circulating particle solar receiver. Conversely, high rates of coke formation, with a product selectivity of 27.5%, were observed on sintered bauxite particles during the reaction, likely promoted by transition metal constituents. These particles fractured upon reoxidation due to exotherms generated from coke combustion. In conclusion, while the use of cofed steam could mitigate attrition of redox-active particles, the ability of inert metal oxide particles to efficiently transfer heat to concentrated ethane reactant gas while suppressing side reactions or degradation suggests that these media could effectively couple solar thermal plants to reactors for next-generation production of ethylene and other critical chemicals.

Hydrocarbons↗
NASA NTRS2016

Fugitive Emissions from the Bakken Shale Illustrate Role of Shale Production in Global Ethane Shift

Ethane is the second most abundant atmospheric hydrocarbon, exerts a strong influence on tropospheric ozone, and reduces the atmosphere's oxidative capacity. Global observations showed declining ethane abundances from 1984 to 2010, while a regional measurement indicated increasing levels since 2009, with the reason for this subject to speculation. The Bakken shale is an oil and gas-producing formation centered in North Dakota that experienced a rapid increase in production beginning in 2010. We use airborne data collected over the North Dakota portion of the Bakken shale in 2014 to calculate ethane emissions of 0.23 +/- 0.07 (2 sigma) Tg/yr, equivalent to 1-3% of total global sources. Emissions of this magnitude impact air quality via concurrent increases in tropospheric ozone. This recently developed large ethane source from one location illustrates the key role of shale oil and gas production in rising global ethane levels.

ethane↗
DOE OSTI2022

Multiscale modeling of hydrogenolysis of ethane and propane on Ru(0001): Implications for plastics recycling

Plastic waste presents an environmental threat. Chemical recycling via hydrogenolysis can convert plastic waste into waxes, lubricants, and fuels. Among catalysts, Ru stands out for its superior activity and selectivity. The chemistry of light alkane hydrogenolysis can help understanding plastics deconstruction. Here, we perform first-principles calculations, develop descriptor-based relations, and conduct microkinetic modeling and analysis on ethane and propane. Predictions are in excellent agreement with experimental data. We identify a similar cracking pattern for both hydrocarbons entailing a deeply dehydrogenated species with the removal of four hydrogen atoms: CHCH*+* → 2CH* for ethane and CH 3 CCH*+2* → CH 3 C* + CH* for propane. We find that the rate-determining step is the C-C cracking for ethane and the first dehydrogenation from the terminal carbon (CH 3 CH 2 CH 3 *+* → CH 3 CH 2 CH 2 *+H*) for propane. The vinyl species CH 2 CH* produced from propane cracking is responsible for whether a single or multiple cracking events occur and effectively controls the selectivity. Specifically, ethane formation in propane hydrogenolysis is suppressed at elevated temperatures due to over-cracking via multiple (two here) cracking events being preferred over hydrogenation and desorption of ethane from the catalyst. Our workflow and models provide a baseline for future studies on heavier hydrocarbons. Insights into recent experimental studies of polyethylene over Ru-based catalysts are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Mechanism of Oxidation of Ethane to Ethanol at Iron(IV)–Oxo Sites in Magnesium-Diluted Fe 2 (dobdc)

The catalytic properties of the metal–organic framework Fe 2 (dobdc), containing open Fe(II) sites, include hydroxylation of phenol by pure Fe 2 (dobdc) and hydroxylation of ethane by its magnesium-diluted analogue, Fe 0.1 Mg 1.9 (dobdc). In earlier work, the latter reaction was proposed to occur through a redox mechanism involving the generation of an iron(IV)–oxo species, which is an intermediate that is also observed or postulated (depending on the case) in some heme and non-heme enzymes and their model complexes. In the present work, we present a detailed mechanism by which the catalytic material, Fe 0.1 Mg 1.9 (dobdc), activates the strong C–H bonds of ethane. Kohn–Sham density functional and multireference wave function calculations have been performed to characterize the electronic structure of key species. We show that the catalytic non-heme-Fe hydroxylation of the strong C–H bond of ethane proceeds by a quintet single-state s-attack pathway after the formation of highly reactive iron–oxo intermediate. The mechanistic pathway involves three key transition states, with the highest activation barrier for the transfer of oxygen from N 2 O to the Fe(II) center. The uncatalyzed reaction, where nitrous oxide directly oxidizes ethane to ethanol is found to have an activation energy of 280 kJ/mol, in contrast to 82 kJ/mol for the slowest step in the iron(IV)–oxo catalytic mechanism. Futhermore, the energetics of the C–H bond activation steps of ethane and methane are also compared. Dehydrogenation and dissociation pathways that can compete with the formation of ethanol were shown to involve higher barriers than the hydroxylation pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Alkyl decorated metal–organic frameworks for selective trapping of ethane from ethylene above ambient pressures

Here the trapping of paraffins is beneficial compared to selective olefin adsorption for adsorptive olefin purification from a process engineering point of view. Here we demonstrate the use of a series of Zn 2 (X-bdc) 2 (dabco) (where X-bdc 2- is bdc 2- = 1,4-benzenedicarboxylate with substituting groups X, DM-bdc 2- = 2,5-dimethyl-1,4-benzenedicarboxylate or TM-bdc 2- = 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate and dabco = diazabicyclo[2.2.2.]octane) metal-organic frameworks (MOFs) for the adsorptive removal of ethane from ethylene streams. The best performing material from this series is Zn2(TM-bdc)2(dabco) (DMOF-TM), which shows a high ethane uptake of 5.31 mmol g -1 at 110 kPa, with a good IAST selectivity of 1.88 towards ethane over ethylene. Through breakthrough measurements a high productivity of 13.1 L/kg per breakthrough is revealed with good reproducibility over five consecutive cycles. Molecular simulations show that the methyl groups of DMOF-TM are forming a van der Waals trap with the methylene groups from dabco, snuggly fitting the ethane. Further, rarely used high pressure coadsorption measurements, in pressure regimes that most scientific studies on hydrocarbon separation on MOFs ignore, reveal an increase in ethane capacity and selectivity for binary mixtures with increased pressures. The coadsorption measurements reveal good selectivity of 1.96 at 1000 kPa, which is verified also through IAST calculations up to 3000 kPa. This study overall showcases the opportunities that pore engineering by alkyl group incorporation and pressure increase offer to improve hydrocarbon separation in reticular materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ethane-CO2 Mixture Adsorption in Silicalite: Influence of Tortuosity and Connectivity of Pores on Selectivity

Selective adsorption using nanoporous materials is an efficient strategy for separating gas mixtures. In a nanoporous material, pores can exist in different shapes and can have different degrees of inter-connectivity. In recent studies, both pore connectivity and tortuosity have been found to affect the adsorption and dynamical properties of ethane and CO2 in silicalite differently. Here, using Monte Carlo simulations, we investigate if these two attributes can affect the selective adsorption of one component from a mixture of ethane and CO2 in silicalite. For this, the adsorption of an equimolar mixture of ethane and CO2 is simulated in 12 models of silicalite—SnZm (n, m = 0, 1, 2, 3 or 4; with n and m denoting, respectively, the fraction (out of 4) of straight and zigzag channels of silicalite that are available for adsorption)—differing in degrees of pore connectivity and tortuosity. The adsorption selectivity in this system is found to exhibit a reversal with the adsorption dominated by ethane at low pressures (below ~1 atm) and by CO2 at higher pressures (above ~10 atm). Pore connectivity is found to suppress the selective adsorption of CO2 at higher pressures and also shifts the selectivity reversal to higher pressures. The selectivity reversal results from a competition between the polarizability-affected adsorption at lower pressures and efficient packing at higher pressures. The efficient packing of CO2 is a compounded effect resulting from the larger effective pore volume available for CO2 due to its stronger interaction with the pore surface and smaller molecular volume. CO2 molecules show a preference to adsorb in non-tortuous pores, and this preference is found to be stronger in the presence of ethane. The effects of pore connectivity and tortuosity elucidated here should be applicable to a wide range of natural and engineered nanoporous materials, and this knowledge could be used to identify materials with better capability for separating and storing CO2 based on their pore attributes.

Gautam, Siddharth (ORCID:0000000314435382)↗
NASA NTRS2011

Ethane in Planetary and Cometary Atmospheres: Transmittance and Fluorescence Models of the nu7 Band at 3.3 Micrometers

Ethane and other hydrocarbon gases have strong rovibrational transitions in the 3.3 micron spectral region owing to C-H, CH2, and CH3 vibrational modes, making this spectral region prime for searching possible biomarker gases in extraterrestrial atmospheres (e.g., Mars, exoplanets) and organic molecules in comets. However, removing ethane spectral signatures from high-resolution terrestrial transmittance spectra has been imperfect because existing quantum mechanical models have been unable to reproduce the observed spectra with sufficient accuracy. To redress this problem, we constructed a line-by-line model for the n7 band of ethane (C2H6) and applied it to compute telluric transmittances and cometary fluorescence efficiencies. Our model considers accurate spectral parameters, vibration-rotation interactions, and a functional characterization of the torsional hot band. We integrated the new band model into an advanced radiative transfer code for synthesizing the terrestrial atmosphere (LBLRTM), achieving excellent agreement with transmittance data recorded against Mars using three different instruments located in the Northern and Southern hemispheres. The retrieved ethane abundances demonstrate the strong hemispheric asymmetry noted in prior surveys of volatile hydrocarbons. We also retrieved sensitive limits for the abundance of ethane on Mars. The most critical validation of the model was obtained by comparing simulations of C2H6 fluorescent emission with spectra of three hydrocarbon-rich comets: C/2004 Q2 (Machholz), 8P/Tuttle, and C/2007 W1 (Boattini). The new model accurately describes the complex emission morphology of the nu7 band at low rotational temperatures and greatly increases the confidence of the retrieved production rates (and rotational temperatures) with respect to previously available fluorescence models.

Villanueva, G. L.↗
DOE OSTI2021

CO 2 -assisted ethane aromatization over zinc and phosphorous modified ZSM-5 catalysts

The tandem reactions of CO 2 -assisted oxidative dehydrogenation and aromatization (CO 2 -ODA) of ethane were investigated over ZSM-5 modified with zinc (Zn) and phosphorus (P) by experimental studies and DFT calculations. The nature of active Zn species and their interaction with P were elucidated for understanding Zn/P-ZSM-5 catalyzed CO 2 -ODA reaction of ethane. Compared to the direct dehydrogenation and aromatization (DDA) reaction, the Zn/P-ZSM-5 catalyst possessed higher ethane conversion, enhanced aromatics yield, and better stability in the CO 2 -ODA reaction. Here, the presence of CO 2 reduced the carbon deposition, stabilized the Zn species, and thereby facilitated the generation of more liquid aromatics in CO 2 -assisted ethane aromatization. In situ characterization and DFT calculations provided insight into the mechanisms of CO 2 -ODA over the Zn/P-ZSM-5 catalyst.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The effect of pore structure in ethane-selective metal-organic frameworks for ethylene purification

Separation of ethylene from ethane is of great importance in petrochemical industry. Adsorptive separation making use of porous materials such as metal-organic frameworks (MOFs) is an energy efficient technology compared to the conventional cryogenic distillation. However, preferential adsorption of ethylene over ethane represents the major current challenge. Here we demonstrate how pore structure can significantly alter the adsorption selectivity in two isoreticular Zr-MOFs. A simple ligand functionalization in UiO-66 yields smaller/better matching pore for ethane, and weaker interaction with ethylene, greatly enhancing ethane/ethylene selectivity in MOF-801. Ab initio calculations combined with in situ infrared spectroscopic analysis unveil the nature of host-guest interactions and differences in the overall binding energies. Polymer-grade ethylene (99.9%) can be produced directly from ethane/ethylene mixture in a single step. Having well-balanced adsorption capacity and selectivity, low-cost synthesis and easy scalability MOF-801 stands out as a promising ethane-selective adsorbent for one-step ethylene purification under ambient conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Experimental Investigation of Gaseous Mixtures of Ethane, Methane, and Carbon Dioxide as an Alternative to Conventional Fuel in Spark Ignition Engines

This study investigates the viability and performance of certain synthetic fuels in spark ignition internal combustion engine based stationary power generation wherein the fuel comprises a mixture of methane and ethane in high dilutions of carbon dioxide (CO 2 ). The fuel of concern is a byproduct of a novel method for producing ethylene from ethane. The byproduct gas mixture has a concentration of approximately 41% CO 2 , 40% ethane, and 5% methane by weight along with other minor compounds. Varying mixtures of ethane and methane combined with between 42% and 46% by weight CO 2 were used to evaluate the viability and efficiency of this fuel to operate in existing internal combustion engines as a means of reducing emissions and increasing industrial process efficiency. A 13 hp gasoline generator was repurposed as a test stand by incorporating a modified fuel induction system and instrumentation for data collection. A gas metering and mixing system was installed to precisely control the mass flow of gases induced into the engine. Various instrumentations were installed to monitor in-cylinder pressure, temperature at various locations, emissions, and fuel and airflow rates. Varying fuel mixtures and loads were tested and compared to gasoline. It was found that under a high load, the mixed gas was able to generate comparable thermal efficiency and power to gasoline. But under no load or a part load condition the indicated thermal efficiency was found to be about 21% lower than that of gasoline. Further, the mixed gas also resulted in up to 50% reduction in CO and NOx emissions when compared to gasoline.

42 ENGINEERING↗
NASA NTRS2020

Physical Simulation Of Rocket Exhaust Aerodynamics Using Heated Ethane: Prototypical Experiments

An inaugural experimental investigation into the use of heated ethane as a motive fluid for subscale simulation of rocket exhaust plume aerodynamics has been conducted. A small, self-contained, hydrocarbon aerodynamics test stand was designed and fabricated for this purpose. Testing was performed on an aerodynamic system comprised of a 77:1 upper stage nozzle contour coupled with a passive second-throat supersonic diffuser, specifically selected for its known LOX/GH2 hot-fire performance and complex shock structure. Effects of ethane purity and stagnation temperature on the accuracy of flow field replication have been examined. All major flow features present in hot-fire tests were reproduced in heated ethane with start and unstart pressure ratio errors of approximately +4% and -5%, respectively. Steady-state test cell pressure ratio errors of ±0.5% were shown to be readily achievable when the stagnation temperature was well-controlled. Ambient-temperature nitrogen testing was also conducted for the purpose of direct comparison of the ethane method to conventional cold-flow techniques. However, its higher isentropic exponent prevented the diffuser from achieving start.

rocket↗
DOE OSTI2015

Identifying Different Types of Catalysts for CO 2 Reduction by Ethane through Dry Reforming and Oxidative Dehydrogenation

Abstract The recent shale gas boom combined with the requirement to reduce atmospheric CO 2 have created an opportunity for using both raw materials (shale gas and CO 2 ) in a single process. Shale gas is primarily made up of methane, but ethane comprises about 10 % and reserves are underutilized. Two routes have been investigated by combining ethane decomposition with CO 2 reduction to produce products of higher value. The first reaction is ethane dry reforming which produces synthesis gas (CO+H 2 ). The second route is oxidative dehydrogenation which produces ethylene using CO 2 as a soft oxidant. The results of this study indicate that the Pt/CeO 2 catalyst shows promise for the production of synthesis gas, while Mo 2 C‐based materials preserve the CC bond of ethane to produce ethylene. These findings are supported by density functional theory (DFT) calculations and X‐ray absorption near‐edge spectroscopy (XANES) characterization of the catalysts under in situ reaction conditions.

Porosoff, Marc D.↗
DOE OSTI2015

Identifying different types of catalysts for CO 2 reduction by ethane through dry reforming and oxidative dehydrogenation

In this study, the recent shale gas boom combined with the requirement to reduce atmospheric CO 2 have created an opportunity for using both raw materials (shale gas and CO 2 ) in a single process. Shale gas is primarily made up of methane, but ethane comprises about 10 % and reserves are underutilized. Two routes have been investigated by combining ethane decomposition with CO 2 reduction to produce products of higher value. The first reaction is ethane dry reforming which produces synthesis gas (CO+H 2 ). The second route is oxidative dehydrogenation which produces ethylene using CO 2 as a soft oxidant. The results of this study indicate that the Pt/CeO 2 catalyst shows promise for the production of synthesis gas, while Mo 2 C-based materials preserve the C—C bond of ethane to produce ethylene. These findings are supported by density functional theory (DFT) calculations and X-ray absorption near-edge spectroscopy (XANES) characterization of the catalysts under in situ reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗