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3 edition of Quantum chemical study of methane oxidation species found in the catalog.

Quantum chemical study of methane oxidation species

Quantum chemical study of methane oxidation species

status report

  • 90 Want to read
  • 40 Currently reading

Published by National Aeronautics and Space Administration in [Washington, D.C.? .
Written in English

    Subjects:
  • Methane -- Analysis,
  • Oxidation

  • Edition Notes

    Statementprincipal investigator, Charles F. Jackels
    SeriesNASA-CR -- 173819, NASA contractor report -- 173819
    ContributionsUnited States. National Aeronautics and Space Administration, Wake Forest University. Dept. of Chemistry
    The Physical Object
    FormatMicroform
    Pagination1 v.
    ID Numbers
    Open LibraryOL14928841M

    Chemistry is the scientific discipline involved with elements and compounds composed of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a reaction with other substances.. In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central science because it. Abstract. Biological methane oxidation is carried out by methanotrophs, bacteria that utilize methane as their sole carbon and energy source. The enzyme they contain that is responsible for methane oxidation is methane monooxygenase, the most well studied being the soluble methane monooxygenase enzyme complexes fromMethylococcus capsulatus (Bath) andMethylosinus trichosporium magny-notaires.com by:

    Higher oxidation states of these metals are not formed by the actual loss of electrons but due to the formation of new hybrid orbitals involving (n-1)d, ns and np orbitals. The transition elements form ionic bonds in the lower oxidation states and the ionic character of the . A seasonal survey of methane oxidation and CO 2 reduction rates indicates that methane production was confined to sulfate‐depleted sediments at all times of year, while methane oxidation occurred in two modes. In the summer, methane oxidation was confined to sulfate‐depleted sediments and occurred at rates lower than those of CO 2 reduction Cited by:

    This study successfully demonstrated the feasibility of stably sustaining an ultra-lean premixed methane–air flame in a novel sandwich triple-jet burner, and also successfully explained the structure of the ultra-lean flame in terms of the hydrodynamic field, thermodynamic field, and cross-stream chemical species magny-notaires.com by: 1. Aug 04,  · A very recent study showed the while our studies suggest that after dissociation of first C–H in methane, the CH 3 species will Understanding complete oxidation of methane on spinel Cited by:


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Quantum chemical study of methane oxidation species Download PDF EPUB FB2

Get this from a library. Quantum chemical study of methane oxidation species: status report. [Charles Quantum chemical study of methane oxidation species book Jackels; United States.

National Aeronautics and Space Administration.; Wake Forest University. Department of Chemistry.]. QUANTUM CHEMICAL STUDY OF METHANE OXIDATION SPECIES Final Project Report Principal Investigator Dr.

Charles F. Jackels Report for Period: June - December Institutional Address Department of Chemistry Wake Forest University Winston-Salem, NC Cooperative Agreement No. NCC (NASA-CR) QUANTUM CHEMICAL STUDY OF METHAN. Get this from a library. Quantum chemical study of methane oxidation species: final technical report.

[Charles F Jackels; United States. National Aeronautics and Space Administration.]. Mechanism of C−H Activation by Diiron Methane Monooxygenases: Quantum Chemical StudiesCited by: Quantum chemical studies of methane monooxygenase: Comparision with P Article · Literature Review in Current Opinion in Chemical Biology 6(2) · May with 28 Reads.

Methane hydroxylation at the mononuclear and dinuclear copper sites of pMMO is discussed using quantum mechanical and QM/MM calculations. Possible mechanisms are proposed with respect to the formation of reactive copper−oxo and how they activate methane.

Dioxygen is incorporated into the CuI species to give a CuII−superoxo species, followed by an H-atom transfer from a tyrosine residue Cited by: Quantum Chemical Studies on Metal-Oxo Species Related to the Mechanisms of Methane Monooxygenase and Photosynthetic Oxygen Evolution.

is regarded as the active species in. Quantum chemical studies of methane monooxygenase: comparision with P designated H peroxo and Q, the latter being the species competent to convert methane to methanol. S ShaikMulti-state epoxidation of ethene by cytochrome P a quantum chemical study.

J Cited by: An alternative process is partial oxidation of methane, which can proceed catalytically or as a purely homogeneous process (Texaco-Shell): CH 4 + O 2 CO + 2 H 2, ∆H R = kJ/mol The (mild) exothermicity of this reaction is one of the major advantages of this process alternative.

ELSEVIER JOURNAL OF MOLECULAR CATALYSIS A: CHEMICAL Journal of Molecular Catalysis A: Chemical () A quantum-chemical MINDO / 3 study of methane and oxygen interactions with a pure and a modified calcium oxide surface Nourbosyn U.

Zhanpeisov a, Volker Staemmler b, Manfred Baerns a Boreskov Institute of Catalysis, NovosibirskRussia b Lehrstuhl fiir Cited by: Jan 28,  · Quantum chemical study of the catalytic activation of methane by copper oxide and copper hydroxide cations. Rezabal E(1), Ruipérez F, Ugalde JM.

Author information: (1)NanoBioSeparations Group, POLYMAT, Euskadi, Spain. [email protected] by: Ab initio DFT quantum chemical methods are applied to study intermediates in the catalytic cycle of soluble methane monooxygenase hydroxylase (MMOH), a dinuclear iron-containing enzyme that converts methane and dioxygen selectively to methanol and water.

The quantum chemical models reproduce reliably the X-ray crystallographic coordinates of the active site for the oxidized diiron(III) and Cited by: Microbially mediated anaerobic oxidation of methane (AOM) moderates the input of methane, an important greenhouse gas, to the atmosphere by consuming methane produced in various marine, terrestrial, and subsurface environments.

AOM coupled to sulfate reduction has been most extensively studied because of the abundance of sulfate in marine systems. Anaerobic oxidation of methane (AOM) is a microbial process occurring in anoxic marine and freshwater magny-notaires.com AOM methane is oxidized with different terminal electron acceptors such as sulfate, nitrate, nitrite and metals.

May 01,  · A recent article examines the effectiveness of utilizing cover soil as a way to reduce methane emissions from landfills. The study suggests that the fraction of. Catalytic oxidation of methane is an important area for both academic research and industrial applications.

Methane (the major component of natural gas) is one of the main energy sources for gas-powered turbines for power generation, and transport vehicles (using compressed natural gas).

Michael J Janik, R. Davis and M. Neurock,"A quantum chemical study of tertiary carbenium ions in acid catalyzed hydrocarbon conversions over phosphotungstic acid".

Feb 19,  · Structure of the key species in the enzymatic oxidation of methane to methanol. potential of Q is of great contemporary interest for bioremediation and the development of synthetic approaches to methane-based alternative fuels and chemical industry feedstocks.

et al. Large scale ab initio quantum chemical calculation of the Cited by: Methane monooxygenases (MMOs) mediate the facile conversion of methane into methanol in methanotrophic bacteria with high efficiency under ambient conditions.

Because the selective oxidation of methane is extremely challenging, there is considerable interest in understanding how these enzymes carry out this difficult chemistry. The impetus of these efforts is to learn from the microbes to Cited by: Quantum Chemical Characterization of Water Oxidation Catalysts.

In Molecular Water Oxidation Catalysis: A Key Topic for New Sustainable Energy Conversion Schemes (Vol. pp. Wiley magny-notaires.com by: 2. In chemistry, the valence or valency of an element is a measure of its combining power with other atoms when it forms chemical compounds or magny-notaires.com concept of valence was developed in the second half of the 19th century and helped successfully explain the molecular structure of inorganic and organic compounds.

The quest for the underlying causes of valence led to the modern theories of.May 31,  · Microbes use two distinct catabolic pathways for life with the fuel methane: aerobic methane oxidation carried out by bacteria and anaerobic methane oxidation carried out by archaea.

The archaea capable of anaerobic oxidation of methane, anaerobic methanotrophs (ANME), are phylogenetically related to methanogens.General Chemical Properties of the Alkanes Halogenation: Chlorination may be brought about by photo irradiation, heat or catalysts, and the extent of chlorination depends largely on the amount of .