ChemInform Abstract: Large-Scale ab initio Simulations of Binary Transition Metal Clusters for Storage Media Materials

ChemInform ◽  
2009 ◽  
Vol 40 (23) ◽  
Author(s):  
P. Entel ◽  
M. E. Gruner
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Large Scale ◽  
Metal Clusters ◽  
Transition Metal Clusters ◽  
Ab Initio Simulations ◽  
Storage Media

Competitive adsorption of phenol and toluene onto silica-supported transition metal clusters for biofuel purification

2021 ◽  
Author(s):  
Saber Gueddida ◽  
Michael Badawi ◽  
Tejraj Aminabhavi ◽  
Sébastien Lebègue
Keyword(s):  
Transition Metal ◽  
Competitive Adsorption ◽  
Metal Clusters ◽  
Hydrocarbon Fuel ◽  
Energy Performance ◽  
Transition Metal Clusters ◽  
Gas Emissions ◽  
Toxic Gas

Biomass-based renewable hydrocarbon fuel is a complex mix that contains many oxygenating substances, in particular phenolics, which leads to adverse consequences such as reduced engine energy performance and increased toxic gas emissions.

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