Computational Study of Adsorption and Separation of CO2, CH4, and N2 by an rht-Type Metal–Organic Framework

Langmuir ◽  
2012 ◽  
Vol 28 (33) ◽  
pp. 12122-12133 ◽  
Author(s):  
Zhijuan Zhang ◽  
Zhong Li ◽  
Jing Li
Keyword(s):  
Computational Study ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Separation Of Co2 ◽  
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.

Molecular simulation of separation of CO2 from flue gases in CU-BTC metal-organic framework

AIChE Journal ◽  
2007 ◽  
Vol 53 (11) ◽  
pp. 2832-2840 ◽  
Author(s):  
Qingyuan Yang ◽  
Chunyu Xue ◽  
Chongli Zhong ◽  
Jian-Feng Chen
Keyword(s):  
Molecular Simulation ◽  
Metal Organic Framework ◽  
Flue Gases ◽  
Metal Organic ◽  
Separation Of Co2 ◽  
Organic Framework

A cobalt metal-organic framework with small pore size for adsorptive separation of CO2 over N2 and CH4

AIChE Journal ◽  
2017 ◽  
Vol 63 (10) ◽  
pp. 4532-4540 ◽  
Author(s):  
Bohan Shan ◽  
Jiuhao Yu ◽  
Mitchell R. Armstrong ◽  
Dingke Wang ◽  
Bin Mu ◽  
...  
Keyword(s):  
Pore Size ◽  
Metal Organic Framework ◽  
Cobalt Metal ◽  
Small Pore Size ◽  
Adsorptive Separation ◽  
Small Pore ◽  
Metal Organic ◽  
Separation Of Co2 ◽  
Organic Framework

An Ultramicroporous Nickel-Based Metal–Organic Framework for Adsorption Separation of CO2 over N2 or CH4

2018 ◽  
Vol 32 (8) ◽  
pp. 8676-8682 ◽  
Author(s):  
Yongwei Chen ◽  
Houxiao Wu ◽  
Daofei Lv ◽  
Wenyuan Yang ◽  
Zhiwei Qiao ◽  
...  
Keyword(s):  
Metal Organic Framework ◽  
Metal Organic ◽  
Separation Of Co2 ◽  
Organic Framework
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