Adsorption mechanism of NH3, NO, and O2 molecules over FexOy/AC catalyst surface: a DFT-D3 study

2021 ◽  
Author(s):  
Chaoyue Xie ◽  
Yunlan Sun ◽  
Baozhong Zhu ◽  
Weiyi Song ◽  
Minggao Xu
Keyword(s):  
Activated Carbon ◽  
Adsorption Mechanism ◽  
Catalyst Surface ◽  
Specific Adsorption ◽  
Adsorption Mechanisms ◽  
Iron Based ◽  
Iron Based Catalysts ◽  
Supported Iron ◽  
Denox Efficiency

Activated carbon-supported iron-based catalysts (FexOy/AC) show excellent deNOx efficiency. However, the specific adsorption mechanisms of NH3, NO, and O2 molecules on their surfaces are still unknown. In this study, the...

scholarly journals Investigation of Sulfated Iron-Based Catalysts with Different Sulfate Position for Selective Catalytic Reduction of NOx with NH3

Catalysts ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 1035
Author(s):  
Baiyu Fan ◽  
Ziyin Zhang ◽  
Caixia Liu ◽  
Qingling Liu
Keyword(s):  
Selective Catalytic Reduction ◽  
Catalyst Surface ◽  
Catalytic Reduction ◽  
Nh3 Adsorption ◽  
Reduction Of Nox ◽  
Iron Based ◽  
Redox Ability ◽  
Scr Of Nox ◽  
Iron Based Catalysts

The Fe/(SZr) and S(Fe/Zr) sulfated iron-based catalysts, prepared by impregnation methods through changing the loading order of Fe2O3 and SO42− on ZrO2, were investigated on selective catalytic reduction (SCR) of NOx by ammonia. It was studied that the existent forms of Fe2O3 and SO42− on the surface of catalysts were affected by the loading order. The Fe/(SZr) catalyst surface had isolated Fe2O3 and SO42− species and followed both the L-H mechanism and the E-R mechanism, whereas the S(Fe/Zr) catalyst contained SO42− specie and sulfate only and mainly followed the E-R pathway. These factors affected the redox ability and NH3 adsorption, which might be key to the SCR reaction.

scholarly journals Specific adsorption sites and conditions derived by thermal decomposition of activated carbons and adsorbed carbamazepine

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Daniel Dittmann ◽  
Paul Eisentraut ◽  
Caroline Goedecke ◽  
Yosri Wiesner ◽  
Martin Jekel ◽  
...  
Keyword(s):  
Thermal Decomposition ◽  
Activated Carbon ◽  
Activated Carbons ◽  
Evolved Gas Analysis ◽  
Gas Analysis ◽  
Specific Adsorption ◽  
Adsorption Mechanisms ◽  
Adsorption Sites ◽  
Adsorption Processes ◽  
Inorganic Constituents

AbstractThe adsorption of organic micropollutants onto activated carbon is a favourable solution for the treatment of drinking water and wastewater. However, these adsorption processes are not sufficiently understood to allow for the appropriate prediction of removal processes. In this study, thermogravimetric analysis, alongside evolved gas analysis, is proposed for the characterisation of micropollutants adsorbed on activated carbon. Varying amounts of carbamazepine were adsorbed onto three different activated carbons, which were subsequently dried, and their thermal decomposition mechanisms examined. The discovery of 55 different pyrolysis products allowed differentiations to be made between specific adsorption sites and conditions. However, the same adsorption mechanisms were found for all samples, which were enhanced by inorganic constituents and oxygen containing surface groups. Furthermore, increasing the loadings led to the evolution of more hydrated decomposition products, whilst parts of the carbamazepine molecules were also integrated into the carbon structure. It was also found that the chemical composition, especially the degree of dehydration of the activated carbon, plays an important role in the adsorption of carbamazepine. Hence, it is thought that the adsorption sites may have a higher adsorption energy for specific adsorbates, when the activated carbon can then potentially increase its degree of graphitisation.

scholarly journals Synthesis of highly dispersed zirconia-supported iron-based catalysts for Fischer–Tropsch synthesis

2002 ◽  
Vol 235 (1-2) ◽  
pp. 217-224 ◽  
Author(s):  
F.R van den Berg ◽  
M.W.J Crajé ◽  
P.J Kooyman ◽  
A.M van der Kraan ◽  
J.W Geus
Keyword(s):  
Tropsch Synthesis ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis ◽  
Highly Dispersed ◽  
Iron Based ◽  
Iron Based Catalysts ◽  
Supported Iron

Electrochemical synthesis of ammonia directly from N2 and water over iron-based catalysts supported on activated carbon

2017 ◽  
Vol 19 (1) ◽  
pp. 298-304 ◽  
Author(s):  
Baochen Cui ◽  
Jianhua Zhang ◽  
Shuzhi Liu ◽  
Xianjun Liu ◽  
Wei Xiang ◽  
...  
Keyword(s):  
Activated Carbon ◽  
Electrochemical Synthesis ◽  
Activated Charcoal ◽  
Electrochemical Synthesis Of Ammonia ◽  
Iron Based ◽  
Iron Based Catalysts

A CO2-free electrosynthesis of ammonia from air and water is presented with a solid Fe2O3 catalyst confined to activated charcoal.

scholarly journals Conversion of Xylose to Furfural over Lignin-Based Activated Carbon-Supported Iron Catalysts

Catalysts ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 821 ◽  
Author(s):  
Annu Rusanen ◽  
Riikka Kupila ◽  
Katja Lappalainen ◽  
Johanna Kärkkäinen ◽  
Tao Hu ◽  
...  
Keyword(s):  
Activated Carbon ◽  
Catalyst Surface ◽  
Iron Catalysts ◽  
Hydroxyl Groups ◽  
Hydrolysis Lignin ◽  
Carbon Supports ◽  
Metal Precursors ◽  
Feasible Alternative ◽  
Good Catalytic Activity ◽  
Supported Iron

In this study, conversion of xylose to furfural was studied using lignin-based activated carbon-supported iron catalysts. First, three activated carbon supports were prepared from hydrolysis lignin with different activation methods. The supports were modified with different metal precursors and metal concentrations into five iron catalysts. The prepared catalysts were studied in furfural production from xylose using different reaction temperatures and times. The best results were achieved with a 4 wt% iron-containing catalyst, 5Fe-ACs, which produced a 57% furfural yield, 92% xylose conversion and 65% reaction selectivity at 170 °C in 3 h. The amount of Fe in 5Fe-ACs was only 3.6 µmol and using this amount of homogeneous FeCl3 as a catalyst, reduced the furfural yield, xylose conversion and selectivity. Good catalytic activity of 5Fe-ACs could be associated with iron oxide and hydroxyl groups on the catalyst surface. Based on the recycling experiments, the prepared catalyst needs some improvements to increase its stability but it is a feasible alternative to homogeneous FeCl3.

scholarly journals Biofuels Produced by Fischer-Tropsch Synthesis over Silica-supported Iron-Based Catalysts Prepared by Autocombustion Method

2021 ◽  
Vol 25 (4) ◽  
pp. 87-94
Author(s):  
Suthasinee Pengnarapat ◽  
Tharapong Vitidsant ◽  
Noritatsu Tsubaki ◽  
Prasert Reubroycharoen ◽  
Jaru Natakaranakul
Keyword(s):  
Tropsch Synthesis ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis ◽  
Iron Based ◽  
Iron Based Catalysts ◽  
Supported Iron
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