Adsorption and separation of binary mixtures in a metal-organic framework Cu-BTC: A computational study

2008 ◽  
Vol 60 (1) ◽  
pp. 30-35 ◽  
Author(s):  
Sanyue Wang ◽  
Qingyuan Yang ◽  
Chongli Zhong
Keyword(s):  
Binary Mixtures ◽  
Computational Study ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

Experimental and computational study of ethane and ethylene adsorption in the MIL-53(Al) metal organic framework

2016 ◽  
Vol 230 ◽  
pp. 154-165 ◽  
Author(s):  
Rui P.P.L. Ribeiro ◽  
Bárbara C.R. Camacho ◽  
Andriy Lyubchyk ◽  
Isabel A.A.C. Esteves ◽  
Fernando J.A.L. Cruz ◽  
...  
Keyword(s):  
Computational Study ◽  
Metal Organic Framework ◽  
Ethylene Adsorption ◽  
Metal Organic ◽  
Organic Framework

A computational study of the catalytic aerobic epoxidation of propylene over the coordinatively unsaturated metal–organic framework Fe3(btc)2: formation of propylene oxide and competing reactions

2018 ◽  
Vol 20 (9) ◽  
pp. 6726-6734 ◽  
Author(s):  
Thana Maihom ◽  
Montree Sawangphruk ◽  
Michael Probst ◽  
Jumras Limtrakul
Keyword(s):  
Propylene Oxide ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Computational Study ◽  
Metal Organic Framework ◽  
Epoxidation Of Propylene ◽  
Metal Organic ◽  
Competing Reactions ◽  
Organic Framework

The aerobic epoxidation of propylene over the metal–organic framework Fe3(btc)2 (btc = 1,3,5-benzentricarboxylate) as catalyst has been investigated by means of density functional calculations.

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