DFT study of the catalytic effect of Na on the gasification of carbon--CO2

2018 ◽  
Vol 197 ◽  
pp. 471-486 ◽  
Author(s):  
Deng Zhao ◽  
Hui Liu ◽  
Chenglin Sun ◽  
Lianfei Xu ◽  
Qingxi Cao
Keyword(s):  
Catalytic Effect ◽  
Dft Study ◽  
Gasification Of Carbon

scholarly journals Theoretical Insights into the Catalytic Effect of Transition-Metal Ions on the Aquathermal Degradation of Sulfur-Containing Heavy Oil: A DFT Study of Cyclohexyl Phenyl Sulfide Cleavage

ACS Omega ◽  
2020 ◽  
Vol 5 (31) ◽  
pp. 19589-19597
Author(s):  
Ilya Tverdov ◽  
Nail R. Khafizov ◽  
Timur I. Madzhidov ◽  
Mikhail A. Varfolomeev ◽  
Chengdong Yuan ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Heavy Oil ◽  
Catalytic Effect ◽  
Transition Metal Ions ◽  
Dft Study ◽  
Phenyl Sulfide ◽  
Sulfur Containing

The Catalytic Effect of Organometallic Compounds on Oxygen-Hydrazine Fuel Cell: A DFT Study

2021 ◽  
Vol 95 (8) ◽  
pp. 1581-1584
Author(s):  
Zohreh Mohammadi Ahmadmahmodi ◽  
Mehran Aghaie ◽  
Maziar Noei ◽  
Hossein Aghaie
Keyword(s):  
Fuel Cell ◽  
Catalytic Effect ◽  
Organometallic Compounds ◽  
Dft Study

DFT study of the catalytic effect of Fe on the gasification of char-CO2

Fuel ◽  
2021 ◽  
Vol 292 ◽  
pp. 120203
Author(s):  
Deng Zhao ◽  
Hui Liu ◽  
PengCheng Lu ◽  
Baizhong Sun ◽  
Shuai Guo ◽  
...  
Keyword(s):  
Catalytic Effect ◽  
Dft Study

Theoretical insight into the catalytic effect of transition metal ions on the aquathermal degradation of heavy oil: A DFT study of cyclohexyl phenyl amine cleavage

Fuel ◽  
2022 ◽  
Vol 312 ◽  
pp. 123002
Author(s):  
Nail R. Khafizov ◽  
Timur I. Madzhidov ◽  
Chengdong Yuan ◽  
Mikhail A. Varfolomeev ◽  
Oleg N. Kadkin
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Heavy Oil ◽  
Catalytic Effect ◽  
Transition Metal Ions ◽  
Dft Study ◽  
Theoretical Insight ◽  
Insight Into

In Situ Observation of Catalyzed Gasification of Graphite by Nickel

1981 ◽  
Vol 39 ◽  
pp. 76-77
Author(s):  
R. T. K. Baker ◽  
R. D. Sherwood
Keyword(s):  
Objective Lens ◽  
In Situ Observation ◽  
Gas Flows ◽  
Catalytic Gasification ◽  
Television Camera ◽  
Viewing Screen ◽  
Fuels And Chemicals ◽  
Gasification Of Carbon ◽  
Transmission Microscope

The catalytic gasification of carbon at high temperature by microscopic size metal particles is of fundamental importance to removal of coke deposits and conversion of refractory hydrocarbons into fuels and chemicals. The reaction of metal/carbon/gas systems can be observed by controlled atmosphere electron microscopy (CAEM) in an 100 KV conventional transmission microscope. In the JEOL gas reaction stage model AGl (Fig. 1) the specimen is positioned over a hole, 200μm diameter, in a platinum heater strip, and is interposed between two apertures, 75μm diameter. The control gas flows across the specimen and exits through these apertures into the specimen chamber. The gas is further confined by two apertures, one in the condenser and one in the objective lens pole pieces, and removed by an auxiliary vacuum pump. The reaction zone is <1 mm thick and is maintained at gas pressure up to 400 Torr and temperature up to 1300<C as measured by a Pt-Pt/Rh 13% thermocouple. Reaction events are observed and recorded on videotape by using a Philips phosphor-television camera located below a hole in the center of the viewing screen. The overall resolution is greater than 2.5 nm.

DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives

2009 ◽  
Author(s):  
Manuel Fernández-Gómez ◽  
Amparo Navarro ◽  
MªPaz Fernández-Liencres ◽  
Mónica Moral ◽  
José Manuel Granadino-Roldán ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Dft Study
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