In silico screening of 4764 computation-ready, experimental metal–organic frameworks for CO2 separation

2016 ◽  
Vol 4 (6) ◽  
pp. 2105-2114 ◽  
Author(s):  
Zhiwei Qiao ◽  
Kang Zhang ◽  
Jianwen Jiang
Keyword(s):  
In Silico ◽  
Metal Organic Frameworks ◽  
Co2 Separation ◽  
In Silico Screening ◽  
Metal Organic

We screened 4764 metal–organic frameworks and identified the best candidates for CO2 separation.

scholarly journals In Silico Screening of Metal–Organic Frameworks for Adsorption-Driven Heat Pumps and Chillers

2018 ◽  
Vol 10 (32) ◽  
pp. 27074-27087 ◽  
Author(s):  
Máté Erdős ◽  
Martijn F. de Lange ◽  
Freek Kapteijn ◽  
Othonas A. Moultos ◽  
Thijs J. H. Vlugt
Keyword(s):  
In Silico ◽  
Metal Organic Frameworks ◽  
Heat Pumps ◽  
In Silico Screening ◽  
Metal Organic

scholarly journals Design of amine-functionalized metal–organic frameworks for CO2 separation: the more amine, the better?

2016 ◽  
Vol 52 (5) ◽  
pp. 974-977 ◽  
Author(s):  
Zhiwei Qiao ◽  
Nanyi Wang ◽  
Jianwen Jiang ◽  
Jian Zhou
Keyword(s):  
Metal Organic Frameworks ◽  
Co2 Separation ◽  
Amine Functionalized ◽  
Metal Organic

A total of 41 825 metal–organic frameworks (MOFs) were computationally screened toward the design of amine-functionalized MOFs for CO2 separation.

Selective H2S/CO2 Separation by Metal–Organic Frameworks Based on Chemical-Physical Adsorption

2017 ◽  
Vol 121 (24) ◽  
pp. 13249-13255 ◽  
Author(s):  
Jia Liu ◽  
Yajuan Wei ◽  
Peizhou Li ◽  
Yanli Zhao ◽  
Ruqiang Zou
Keyword(s):  
Physical Adsorption ◽  
Metal Organic Frameworks ◽  
Co2 Separation ◽  
Metal Organic
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