Green Oxidation Process in the Synthesis of LLM-105 with H2O2/Peroxotungstate System and its Theoretical Study

2016 ◽  
Vol 53 (5) ◽  
pp. 1386-1394 ◽  
Author(s):  
Jie Zhu ◽  
Xue-Jing Zhao ◽  
Peng-Cheng Wang ◽  
Ming Lu
Keyword(s):  
Theoretical Study ◽  
Oxidation Process ◽  
Green Oxidation

scholarly journals Theoretical study of catalytic mechanism for single-site water oxidation process

2012 ◽  
Vol 109 (39) ◽  
pp. 15669-15672 ◽  
Author(s):  
X. Lin ◽  
X. Hu ◽  
J. J. Concepcion ◽  
Z. Chen ◽  
S. Liu ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Catalytic Mechanism ◽  
Theoretical Study ◽  
Oxidation Process ◽  
Single Site ◽  
Site Water

Green oxidation process commercialised

2003 ◽  
Vol 2003 (4) ◽  
pp. 1
Author(s):  
Alan E. Comyns
Keyword(s):  
Oxidation Process ◽  
Green Oxidation

Theoretical Study of N Incorporation Effect during SiC Oxidation

2013 ◽  
Vol 740-742 ◽  
pp. 455-458 ◽  
Author(s):  
Shigenori Kato ◽  
Kenta Chokawa ◽  
Katsumasa Kamaiya ◽  
Kenji Shiraishi
Keyword(s):  
First Principles ◽  
Theoretical Study ◽  
Oxidation Process ◽  
The Other ◽  
No Oxidation ◽  
First Principles Calculation ◽  
Interface Properties ◽  
Covalent Bonds ◽  
State Generation ◽  
N Incorporation

We investigated the atomistic mechanism of N incorporation during SiC oxidation by the first principles calculation. We found that N atoms play two characteristic roles in NO oxidation of SiC surface. One is that N atoms tend to form three-fold coordinated covalent bonds on a SiC(0001) surface, which assist the termination of surface dangling bonds, leading to improve the interface properties. The other is that N atoms form N-N bond like a double bond. The N2 molecule is desorbed from SiC surface, which do not disturb the oxidation process of SiC surfaces. These results indicate that N incorporation is effective to suppress defect state generation at SiO2/SiC interfaces during SiC oxidation.

Theoretical study on monooxygenation mechanism by cytochrome P450: an ultimate species in the substrate oxidation process

2005 ◽  
Vol 722 (1-3) ◽  
pp. 133-137 ◽  
Author(s):  
Masayuki Hata ◽  
Yoshinori Hirano ◽  
Tyuji Hoshino ◽  
Rie Nishida ◽  
Minoru Tsuda
Keyword(s):  
Cytochrome P450 ◽  
Theoretical Study ◽  
Oxidation Process ◽  
Substrate Oxidation

A theoretical study on the oxidation mechanism of triose reductone in reference to L-ascorbic acid

1986 ◽  
Vol 64 (2) ◽  
pp. 360-365 ◽  
Author(s):  
Yasuo Abe ◽  
Hideo Horii ◽  
Setsuo Taniguchi ◽  
Shinichi Yamabe ◽  
Tsutomu Minato
Keyword(s):  
Ascorbic Acid ◽  
Functional Group ◽  
Theoretical Study ◽  
Oxidation Process ◽  
Gradient Methods ◽  
Vibrational Analysis ◽  
Oxidation Mechanism ◽  
Basis Set ◽  
Carbonyl Groups ◽  
Intermediate Species

The oxidation of triose reductone H—CO—C(OH)=C(OH)—H (which has the same functional group as L-ascorbic acid) to dehydroreductone is investigated by abinitio molecular orbital computations. The geometries of the substrate, oxidized product, and of six possible intermediate species are optimized by gradient methods at the STO-3G basis set level. All the species are found to be planar and stable molecules by the vibrational analysis. The most possible oxidation route is shown to consist of four steps. The combination of the enediol and carbonyl groups in the deprotonated molecule 2 gives an effective π conjugation for the electron removal. The oxidation process of L-ascorbic acid is discussed on the basis of the results for triose reductone.

Theoretical study of olefin oxidation process on a dioxo-μ-oxo Mo catalyst

2008 ◽  
Vol 108 (10) ◽  
pp. 1674-1683 ◽  
Author(s):  
Beulah Griffe ◽  
Giuseppe Agrifoglio ◽  
Fernando Ruette ◽  
Joaquín L. Brito
Keyword(s):  
Theoretical Study ◽  
Oxidation Process ◽  
Olefin Oxidation ◽  
Mo Catalyst

Control of Metal Alloy Oxidation with Electric Fields

1973 ◽  
Vol 31 ◽  
pp. 164-165
Author(s):  
R. R. Dils ◽  
P. S. Follansbee
Keyword(s):  
Electric Fields ◽  
Oxidation Process ◽  
Base Alloy ◽  
Oxide Surface ◽  
Platinum Electrodes ◽  
Insulating Layer ◽  
Iron Base Alloy ◽  
Alloy Oxidation ◽  
Aluminum Oxide Layer ◽  
And Control

Electric fields have been applied across oxides growing on a high temperature alloy and control of the oxidation of the material has been demonstrated. At present, three-fold increases in the oxidation rate have been measured in accelerating fields and the oxidation process has been completely stopped in a retarding field.The experiments have been conducted with an iron-base alloy, Pe 25Cr 5A1 0.1Y, although, in principle, any alloy capable of forming an adherent aluminum oxide layer during oxidation can be used. A specimen is polished and oxidized to produce a thin, uniform insulating layer on one surface. Three platinum electrodes are sputtered on the oxide surface and the specimen is reoxidized.

Structural Imperfections in thin Oxide Films Formed on Some Fe- and Ni-Base Alloys

1970 ◽  
Vol 28 ◽  
pp. 510-511
Author(s):  
L. P. Lemaire ◽  
D. E. Fornwalt ◽  
F. S. Pettit ◽  
B. H. Kear
Keyword(s):  
Oxide Scale ◽  
Oxidation Process ◽  
Short Circuit ◽  
Protective Oxide ◽  
Protective Oxide Scale ◽  
Thin Oxide Films ◽  
Diffusion Paths ◽  
Oxidation Resistant ◽  
Structural Imperfections ◽  
Short Circuit Diffusion

Oxidation resistant alloys depend on the formation of a continuous layer of protective oxide scale during the oxidation process. The initial stages of oxidation of multi-component alloys can be quite complex, since numerous metal oxides can be formed. For oxidation resistance, the composition is adjusted so that selective oxidation occurs of that element whose oxide affords the most protection. Ideally, the protective oxide scale should be i) structurally perfect, so as to avoid short-circuit diffusion paths, and ii) strongly adherent to the alloy substrate, which minimizes spalling in response to thermal cycling. Small concentrations (∼ 0.1%) of certain reactive elements, such as yttrium, markedly improve the adherence of oxide scales in many alloy systems.

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