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Showing 1 to 20 of 237 for “"alkanes"”.
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Modeling Diiron enzymes for alkanes activation
The synthesis and characterization of a series of ruthenium 'sawhorse' complexes of the type [RU2(IJ-02CRh(CO)4(Lh]' has been successfully carried out. The complexes have been characterized by IR, 1H and 13C NMR spectroscopy, elemental analysis as well as by mass spectrometry.
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Physical properties of alkanes and their mixtures
Alkanes and their mixtures are some of the physically simplest molecules and are widely used in industry, yet the connection between their structure and physical properties is still poorly understood. To make progress, we study the properties of pure alkanes with neural networks and molecular …
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Cytochrome P450 whole cell biohydroxylation of alkanes
… in the context of sustainability. Linear alkanes, sourced from fossil fuel reserves and as by-products in gas-to-liquid technology and CO2-to-power strategies, both through Fischer Tropsch activities, can serve not only as a low-cost fuel or solvent, but also as a precursor to produce …
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The heterogeneous partial oxidation of light alkanes
(cont.) With this approach, an upper bound on the yield for OCM was computed. Results showed that even with optimal surface chemistry, strict limits existed on the attainable yield. Surface energetics necessary for superior OCM performance were identified and the origins of these requirements …
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Fluorination Effect on the Conformational Properties of Alkanes
… and the corresponding mono and di-iodoperfluoroalkanes were used in most cases. For the n=3 dimer, a novel 1,w-perfluoroalkylation of pyrene via bis-decarboxylation of hexafluorogultaric acid was utilized. These compounds, along with suitable hydrocarbon analogs, are being used to study the …
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Crystallisation and chain conformation of long chain n-alkanes.
… of peak areas. However, in the case of n-alkanes with short chain length, such as n-C[44]H[90] for example, the infrared spectra recorded at liquid nitrogen temperature and reported here show the sensitivity of these latter peaks to the various crystal structures formed. Indeed, the main …
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Computational thermochemistry of hydrocarbons, oxygenates, cyclic alkanes, and furans
… (C--H) BDEs for several normal and branched alkanes and ketones including corresponding radicals from loss of hydrogen atoms show strong comparisons to available literature values. Ketone C--H BDEs in the [alpha] position decrease by 6-9 kcal mol^{-1} with increasing substitution compared to …
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Alkanes as Internal Markers to Estimate Digestibility in Horses
Fecal recoveries of n-alkanes were determined in three digestion balance experiments consisting of two periods each. Each experiment compared two diets in a switch-back design using eight mature Thoroughbred geldings. Horses were randomly assigned to two groups of four and offered one of two mixed …
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Transport of n-alkanes through graphene nanoporous atomically thin membrane
… is analyzed in this paper. Diffusion of n-alkanes between C10 and C18 was analyzed to isolate the effect of molecule size in transport trends. The n-alkanes are chosen as the solutes for their similar long-chains but differing lengths. Differently branched structures cause variable …
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Designing a machine learning potential for molecular simulation of liquid alkanes
… scientific and industrial applications, as alkanes are the largest component of fuels, lubricants, and waxes; furthermore, they form the backbones of a myriad of organic compounds. This dissertation details the creation of a potential, a model for how the atoms and molecules in the …
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Thermochemistry and bond energies of nitro -alkanes, -alkenes, -carbonyls and corresponding nitrites
… were performed on a series of nitro -alkanes, -alkenes, carbonyl and corresponding nitrites representing large-scale primary, secondary and tertiary nitro compounds and their radicals resulting from the loss of skeletal hydrogen atoms. Geometries, vibration frequencies and …
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Structure Sensitivity of Alkanes Hydrogenolysis and Alkynes Hydrogenation on Supported Ir Catalysts
In many catalytic systems, the activity and selectivity of supported metal catalysts or extended metal surface catalysts would be affected by the metal surface structure, and this phenomenon is called structure sensitivity. Generally, structure sensitivity is led by the change of geometric and …
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Catalytic cracking of n-alkanes and n-alkylbenzenes over H-ZSM-5 zeolite
Thesis (Sc. D.)--Massachusetts Institute of Technology, Dept. of Chemical Engineering, 1993.
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Synthesis, characterization and catalytic testing of metal tungstates as catalysts for activation of lower alkanes
The electronic and structural properties of vanadium-containing phases govern the formation of isolated active sites at the surface of these catalysts for selective alkane oxidation. This concept is not restricted to vanadium oxide. The deliberate use of hydrothermal techniques can turn the typical …
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Electrochemical Transformation of Alkanes, Carbon Dioxide and Protons at Iron-Porphyrins and Iron-Sulfur Clusters
Abstract The work contained in this thesis focuses on (i) chemical and electrochemical alkane oxidation using Fe-porphyrin complexes as catalysts (ii) electrochemical and photoelectrochemical CO2 reduction using Fe-porphyrin complexes (iii) electrochemical and photoelectrochemical generation of …
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Isolation of bacterial strains capable of efficient conversion of n-alkanes into value added products
… fraction, Cw C17, and was further grown in pure alkanes, n-dodecane, n-tetradecane, and hexadecane for comparison. In addition, the strain, P. aeruginosa MB2SA, was grown in an appropriate medium for PHA synthesis and high yields of PHA were observed when both the long alkane fraction, Cw CI7, …
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Redutive Dehalogenation of Chlorinated Alkanes by Novel Bacteria at the PetroProcessor of Louisiana Inc. Superfund Site
… a variety of other vicinally chlorinated alkanes including 1,1,2,2-tetrachloroethane, 1,1,2-trichloroethane, 1,2-dichloroethane, and 1,2-dichloropropane via dichloroelimination reactions. Chlorinated alkanes containing only a single chlorine substituent (1-chloropropane, 2-chloropropane), …
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