A DFT study on the insertion of CO2into styrene oxide catalyzed by 1-butyl-3-methyl-Imidazolium bromide ionic liquid

2015 ◽  
Vol 36 (17) ◽  
pp. 1322-1333 ◽  
Author(s):  
Sandro Marmitt ◽  
Paulo F. B. Gonçalves
Keyword(s):  
Ionic Liquid ◽  
Styrene Oxide ◽  
Dft Study

Structures and mechanisms of CO2 cycloaddition with styrene oxide on bimetallic M–Cu–BTC MOFs (M = Mg, Ca, Al, and Ga): a DFT study

2021 ◽  
Author(s):  
Jakkapan Sirijaraensre
Keyword(s):  
Styrene Oxide ◽  
Cyclic Carbonate ◽  
Dft Study

The Al–Cu–BTC catalyst having the strongest interaction with the SO molecule is the most promising catalyst for the conversion of CO2 to cyclic carbonate.

Synthesis of an oxygenated fuel additive from a waste biomass derived aldehyde using a green catalyst: an experimental and DFT study

2020 ◽  
Vol 4 (6) ◽  
pp. 2924-2936 ◽  
Author(s):  
Komal Kumar ◽  
Vikas Khatri ◽  
Firdaus Parveen ◽  
Hemant K. Kashyap ◽  
Sreedevi Upadhyayula
Keyword(s):  
Ionic Liquid ◽  
Dft Study ◽  
Fuel Additive ◽  
Waste Biomass ◽  
Protic Ionic Liquid ◽  
Green Catalyst ◽  
Oxygenated Fuel ◽  
Green Fuel

Herein, we report greener and sustainable synthesis of a green fuel additive using protic ionic liquid (PIL) catalysts from biomass derived 5-HMF and 1,3-propanediol.

DFT study of 1-butyl-3-methylimidazolium salicylate: a third-generation ionic liquid

2015 ◽  
Vol 21 (9) ◽  
Author(s):  
Stevan Armaković ◽  
Sanja J. Armaković ◽  
Milan Vraneš ◽  
Aleksandar Tot ◽  
Slobodan Gadžurić
Keyword(s):  
Ionic Liquid ◽  
Dft Study ◽  
Third Generation

Cellulose conversion to biofuel precursors using conjugated ionic liquid catalyst: An experimental and DFT study†

2021 ◽  
Vol 610 ◽  
pp. 117951
Author(s):  
Komal Kumar ◽  
Vikas Khatri ◽  
Sreedevi Upadhyayula ◽  
Hemant K. Kashyap
Keyword(s):  
Ionic Liquid ◽  
Dft Study ◽  
Cellulose Conversion

DFT study on the structure and cation–anion interaction of amino acid ionic liquid of [C3mim]+[Glu]−

2010 ◽  
Vol 952 (1-3) ◽  
pp. 16-24 ◽  
Author(s):  
Ying Zhang ◽  
Xiu-Ying Chen ◽  
Hai-Jun Wang ◽  
Kai-Sheng Diao ◽  
Jian-Ming Chen
Keyword(s):  
Ionic Liquid ◽  
Amino Acid ◽  
Dft Study ◽  
Anion Interaction ◽  
Amino Acid Ionic Liquid
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