The Experts below are selected from a list of 5211 Experts worldwide ranked by ideXlab platform
Wenjie Shen - One of the best experts on this subject based on the ideXlab platform.
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methanol selective oxidation to Methyl Formate over reox ceo2 catalysts
Catalysis Letters, 2008Co-Authors: Junlong Liu, Ensheng Zhan, Weijie Cai, Wenjie ShenAbstract:Methanol selective oxidation to Methyl Formate was investigated over ReOx/CeO2 catalysts in terms of Re loading and reaction mechanism. It was found that Re loading with monolayer dispersion on ceria exhibited promising reaction rate of methanol of 16 mmol g cat. −1 h−1 and Methyl Formate selectivity of about 90% at 513 K. The surface reaction of methanol, formaldehyde, and Methyl Formate over the ReOx/CeO2 catalyst was investigated by in situ Fourier transform infrared spectroscopy and it was revealed that the Formate species, formed by the oxidation of adsorbed −OCH3 species, could act as the key reaction intermediate, which further reacted with gaseous methanol to form Methyl Formate and/or decompose into CO and CO2, depending on the reaction temperature.
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Methanol Selective Oxidation to Methyl Formate over ReOx/CeO2 Catalysts
Catalysis Letters, 2007Co-Authors: Junlong Liu, Ensheng Zhan, Weijie Cai, Wenjie ShenAbstract:Methanol selective oxidation to Methyl Formate was investigated over ReOx/CeO2 catalysts in terms of Re loading and reaction mechanism. It was found that Re loading with monolayer dispersion on ceria exhibited promising reaction rate of methanol of 16 mmol g cat. −1 h−1 and Methyl Formate selectivity of about 90% at 513 K. The surface reaction of methanol, formaldehyde, and Methyl Formate over the ReOx/CeO2 catalyst was investigated by in situ Fourier transform infrared spectroscopy and it was revealed that the Formate species, formed by the oxidation of adsorbed −OCH3 species, could act as the key reaction intermediate, which further reacted with gaseous methanol to form Methyl Formate and/or decompose into CO and CO2, depending on the reaction temperature.
Junlong Liu - One of the best experts on this subject based on the ideXlab platform.
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methanol selective oxidation to Methyl Formate over reox ceo2 catalysts
Catalysis Letters, 2008Co-Authors: Junlong Liu, Ensheng Zhan, Weijie Cai, Wenjie ShenAbstract:Methanol selective oxidation to Methyl Formate was investigated over ReOx/CeO2 catalysts in terms of Re loading and reaction mechanism. It was found that Re loading with monolayer dispersion on ceria exhibited promising reaction rate of methanol of 16 mmol g cat. −1 h−1 and Methyl Formate selectivity of about 90% at 513 K. The surface reaction of methanol, formaldehyde, and Methyl Formate over the ReOx/CeO2 catalyst was investigated by in situ Fourier transform infrared spectroscopy and it was revealed that the Formate species, formed by the oxidation of adsorbed −OCH3 species, could act as the key reaction intermediate, which further reacted with gaseous methanol to form Methyl Formate and/or decompose into CO and CO2, depending on the reaction temperature.
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Methanol Selective Oxidation to Methyl Formate over ReOx/CeO2 Catalysts
Catalysis Letters, 2007Co-Authors: Junlong Liu, Ensheng Zhan, Weijie Cai, Wenjie ShenAbstract:Methanol selective oxidation to Methyl Formate was investigated over ReOx/CeO2 catalysts in terms of Re loading and reaction mechanism. It was found that Re loading with monolayer dispersion on ceria exhibited promising reaction rate of methanol of 16 mmol g cat. −1 h−1 and Methyl Formate selectivity of about 90% at 513 K. The surface reaction of methanol, formaldehyde, and Methyl Formate over the ReOx/CeO2 catalyst was investigated by in situ Fourier transform infrared spectroscopy and it was revealed that the Formate species, formed by the oxidation of adsorbed −OCH3 species, could act as the key reaction intermediate, which further reacted with gaseous methanol to form Methyl Formate and/or decompose into CO and CO2, depending on the reaction temperature.
Joseph S. Francisco - One of the best experts on this subject based on the ideXlab platform.
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Mechanistic study of the gas-phase decomposition of Methyl Formate.
Journal of the American Chemical Society, 2003Co-Authors: Joseph S. FranciscoAbstract:The major products of the thermal decomposition of Methyl Formate in the gas phase are CH3OH, CH2O, and CO. Experimental studies have proposed that the mechanism to describe these observations involves two key steps: (1) unimolecular decomposition of Methyl Formate to yield CH3OH + CO, followed by (2) thermal decomposition of methanol to yield CH2O + H2. The present study shows that there exists an alternative mechanism that is energetically more favorable. The new mechanism involves two competing parallel unimolecular decomposition pathways to yield the observed major products.
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A Computational Study of the Reaction of Methyl Formate with ·H and ·CH3 Radicals
The Journal of Physical Chemistry A, 2002Co-Authors: David A. Good, Joseph S. FranciscoAbstract:Ab initio molecular orbital theory has been used to examine the kinetics and mechanism for the reaction of hydrogen and Methyl radicals with Methyl Formate. From the ab initio results the rate of reaction of hydrogen atoms with Methyl Formate is found to be significantly faster than the analogous reactions initiated by Methyl radicals. Under oxygen rich combustion conditions reactions with H and OH are likely to dominate. Abstraction of the carbonyl hydrogen of Methyl Formate by H atom is significantly (85%) favored at 298 K. As the temperature increases, however, Methyl and carbonyl hydrogen abstraction pathways become more equally probable.
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An experimental and computational study of the Methyl Formate radical ultraviolet spectrum
The Journal of Chemical Physics, 2000Co-Authors: Jaron C. Hansen, Joseph S. Francisco, Joseph J. Szente, M. Matti MaricqAbstract:Ab initio molecular orbital theory is coupled with laser flash photolysis experiments to study the UV spectrum and absorption cross section of the Methyl Formate radical. The vertical excitation energies for four of Methyl Formate radical's excited states are calculated at the MRCI level of theory. In the region between 220 and 340 nm, two electronic transitions are identified to explain the experimental UV spectrum.
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Tropospheric Oxidation Mechanism of DiMethyl Ether and Methyl Formate
The Journal of Physical Chemistry A, 2000Co-Authors: David A. Good, Joseph S. FranciscoAbstract:The oxidation mechanism of diMethyl ether is investigated using ab initio methods. The structure and energetics of reactants, products, and transition structures are determined for all pathways involved in the oxidation mechanism. The detailed pathways leading to the experimentally observed products of diMethyl ether oxidation are presented. The energetics of over 50 species and transition structures involved in the oxidation process are calculated with G2 and G2(MP2) energies. The principal pathway following the initial attack of diMethyl ether (CH3OCH3) by the OH radical is the formation of the methoxyMethyl radical (CH2OCH3). Oxidation steps lead to the formation of Methyl Formate, which is consistent with the experimentally observed products. Oxidation pathways of Methyl Formate are also considered.
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Kinetics and Reaction Mechanism of Hydroxyl Radical Reaction with Methyl Formate
The Journal of Physical Chemistry A, 1999Co-Authors: David A. Good, Joseph S. Francisco, Jaron Hanson, Gill-ran JeongAbstract:Ab initio molecular orbital theory has been used to examine the kinetics and mechanism for the reaction of hydroxyl radical with Methyl Formate. From the ab initio parameters the room temperature rate constant is calculated and found to be in good agreement with the experimental determination. It is found that 86% of the reaction proceeds via abstraction of the carbonyl hydrogen from Methyl Formate by hydroxyl radical, resulting in the formation of CH3OCO radical. CH3OCO is expected to oxidize to formaldehyde and carbon dioxide under tropospheric conditions.
Weijie Cai - One of the best experts on this subject based on the ideXlab platform.
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methanol selective oxidation to Methyl Formate over reox ceo2 catalysts
Catalysis Letters, 2008Co-Authors: Junlong Liu, Ensheng Zhan, Weijie Cai, Wenjie ShenAbstract:Methanol selective oxidation to Methyl Formate was investigated over ReOx/CeO2 catalysts in terms of Re loading and reaction mechanism. It was found that Re loading with monolayer dispersion on ceria exhibited promising reaction rate of methanol of 16 mmol g cat. −1 h−1 and Methyl Formate selectivity of about 90% at 513 K. The surface reaction of methanol, formaldehyde, and Methyl Formate over the ReOx/CeO2 catalyst was investigated by in situ Fourier transform infrared spectroscopy and it was revealed that the Formate species, formed by the oxidation of adsorbed −OCH3 species, could act as the key reaction intermediate, which further reacted with gaseous methanol to form Methyl Formate and/or decompose into CO and CO2, depending on the reaction temperature.
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Methanol Selective Oxidation to Methyl Formate over ReOx/CeO2 Catalysts
Catalysis Letters, 2007Co-Authors: Junlong Liu, Ensheng Zhan, Weijie Cai, Wenjie ShenAbstract:Methanol selective oxidation to Methyl Formate was investigated over ReOx/CeO2 catalysts in terms of Re loading and reaction mechanism. It was found that Re loading with monolayer dispersion on ceria exhibited promising reaction rate of methanol of 16 mmol g cat. −1 h−1 and Methyl Formate selectivity of about 90% at 513 K. The surface reaction of methanol, formaldehyde, and Methyl Formate over the ReOx/CeO2 catalyst was investigated by in situ Fourier transform infrared spectroscopy and it was revealed that the Formate species, formed by the oxidation of adsorbed −OCH3 species, could act as the key reaction intermediate, which further reacted with gaseous methanol to form Methyl Formate and/or decompose into CO and CO2, depending on the reaction temperature.
Ensheng Zhan - One of the best experts on this subject based on the ideXlab platform.
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methanol selective oxidation to Methyl Formate over reox ceo2 catalysts
Catalysis Letters, 2008Co-Authors: Junlong Liu, Ensheng Zhan, Weijie Cai, Wenjie ShenAbstract:Methanol selective oxidation to Methyl Formate was investigated over ReOx/CeO2 catalysts in terms of Re loading and reaction mechanism. It was found that Re loading with monolayer dispersion on ceria exhibited promising reaction rate of methanol of 16 mmol g cat. −1 h−1 and Methyl Formate selectivity of about 90% at 513 K. The surface reaction of methanol, formaldehyde, and Methyl Formate over the ReOx/CeO2 catalyst was investigated by in situ Fourier transform infrared spectroscopy and it was revealed that the Formate species, formed by the oxidation of adsorbed −OCH3 species, could act as the key reaction intermediate, which further reacted with gaseous methanol to form Methyl Formate and/or decompose into CO and CO2, depending on the reaction temperature.
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Methanol Selective Oxidation to Methyl Formate over ReOx/CeO2 Catalysts
Catalysis Letters, 2007Co-Authors: Junlong Liu, Ensheng Zhan, Weijie Cai, Wenjie ShenAbstract:Methanol selective oxidation to Methyl Formate was investigated over ReOx/CeO2 catalysts in terms of Re loading and reaction mechanism. It was found that Re loading with monolayer dispersion on ceria exhibited promising reaction rate of methanol of 16 mmol g cat. −1 h−1 and Methyl Formate selectivity of about 90% at 513 K. The surface reaction of methanol, formaldehyde, and Methyl Formate over the ReOx/CeO2 catalyst was investigated by in situ Fourier transform infrared spectroscopy and it was revealed that the Formate species, formed by the oxidation of adsorbed −OCH3 species, could act as the key reaction intermediate, which further reacted with gaseous methanol to form Methyl Formate and/or decompose into CO and CO2, depending on the reaction temperature.