scholarly journals Molecular Diffusion in a Flexible Mesoporous Metal-Organic Framework over the Course of Structural Contraction

2020 ◽  
Author(s):  
Francesco Walenszus ◽  
Volodymyr Bon ◽  
Jack D. Evans ◽  
Stefan Kaskel ◽  
Muslim Dvoyashkin
Keyword(s):  
Molecular Diffusion ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Self Diffusion ◽  
Metal Organic ◽  
Flexible Metal ◽  
Dynamics Simulations ◽  
Pfg Nmr ◽  
Mesoporous Metal ◽  
Organic Framework

In situ <sup>1</sup>H pulsed field gradient (PFG) NMR was used to investigate molecular diffusion of n-butane at 298 K during the negative gas adsorption (NGA) transition caused by contraction of the flexible metal-organic framework DUT-49(Cu). Supported by molecular dynamics simulations, it provided crucial insight to confined diffusion within a highly-flexible pore environment. The self-diffusion coefficients were derived from the experiment and compared with simulations, capturing the diffusion during n-butane adsorption and desorption. This complementary approach has yielded experimental characterization of molecular diffusion mechanisms during the unique process of NGA. <br>

scholarly journals Molecular Diffusion in a Flexible Mesoporous Metal-Organic Framework over the Course of Structural Contraction

2020 ◽  
Author(s):  
Francesco Walenszus ◽  
Volodymyr Bon ◽  
Jack D. Evans ◽  
Stefan Kaskel ◽  
Muslim Dvoyashkin
Keyword(s):  
Molecular Diffusion ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Self Diffusion ◽  
Metal Organic ◽  
Flexible Metal ◽  
Dynamics Simulations ◽  
Pfg Nmr ◽  
Mesoporous Metal ◽  
Organic Framework

In situ <sup>1</sup>H pulsed field gradient (PFG) NMR was used to investigate molecular diffusion of n-butane at 298 K during the negative gas adsorption (NGA) transition caused by contraction of the flexible metal-organic framework DUT-49(Cu). Supported by molecular dynamics simulations, it provided crucial insight to confined diffusion within a highly-flexible pore environment. The self-diffusion coefficients were derived from the experiment and compared with simulations, capturing the diffusion during n-butane adsorption and desorption. This complementary approach has yielded experimental characterization of molecular diffusion mechanisms during the unique process of NGA. <br>

scholarly journals The Role of Temperature and Adsorbate on Negative Gas Adsorption in the Mesoporous Metal-Organic Framework DUT-49

2020 ◽  
Author(s):  
Simon Krause ◽  
Jack D. Evans ◽  
Volodymyr Bon ◽  
Irena Senkovska ◽  
François-Xavier Coudert ◽  
...  
Keyword(s):  
Elevated Temperatures ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Temperature Decrease ◽  
Extensive Investigation ◽  
Metal Organic ◽  
Mesoporous Metal ◽  
Different Gases ◽  
Organic Framework

In this contribution, we present an extensive investigation of adsorption of a range of different gases at various temperatures in DUT-49, a metal-organic framework which features a negative gas adsorption (NGA) transition. Adsorption experiments at temperatures ranging from 21 to 308 K, were used to identify, for each guest, a critical temperature range in which NGA occurs. The experimental results were complemented by molecular simulations that rationalize the absence of NGA at elevated temperatures and the non-monotonic behavior observed upon temperature decrease.

Assembly of an indium–porphyrin framework JLU-Liu7: a mesoporous metal–organic framework with high gas adsorption and separation of light hydrocarbons

2017 ◽  
Vol 4 (1) ◽  
pp. 139-143 ◽  
Author(s):  
Jiahuan Luo ◽  
Jing Wang ◽  
Yu Cao ◽  
Shuo Yao ◽  
Lirong Zhang ◽  
...  
Keyword(s):  
High Performance ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Light Hydrocarbon ◽  
Light Hydrocarbons ◽  
Metal Organic ◽  
Mesoporous Metal ◽  
Organic Framework

A novel mesoporous indium–porphyrin framework JLU-Liu7 with frl net has been successfully synthesized. It exhibits high performance for gas adsorption and light hydrocarbon separation.

Gas Adsorption Study on Mesoporous Metal−Organic Framework UMCM-1

2010 ◽  
Vol 114 (14) ◽  
pp. 6464-6471 ◽  
Author(s):  
Bin Mu ◽  
Paul M. Schoenecker ◽  
Krista S. Walton
Keyword(s):  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Adsorption Study ◽  
Metal Organic ◽  
Mesoporous Metal ◽  
Organic Framework

scholarly journals Molecular Diffusion in a Flexible Mesoporous Metal–Organic Framework over the Course of Structural Contraction

2020 ◽  
Vol 11 (22) ◽  
pp. 9696-9701
Author(s):  
Francesco Walenszus ◽  
Volodymyr Bon ◽  
Jack D. Evans ◽  
Stefan Kaskel ◽  
Muslim Dvoyashkin
Keyword(s):  
Molecular Diffusion ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Mesoporous Metal ◽  
Organic Framework

scholarly journals The role of temperature and adsorbate on negative gas adsorption transitions of the mesoporous metal–organic framework DUT-49

2021 ◽  
Author(s):  
Simon Krause ◽  
Jack D. Evans ◽  
Volodymyr Bon ◽  
Irena Senkovska ◽  
François-Xavier Coudert ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Metal Organic Framework ◽  
P Adsorption ◽  
Metal Organic ◽  
Mesoporous Metal ◽  
Different Gases ◽  
Organic Framework

Adsorption-induced contraction and negative gas adsorption in the mesoporous metal–organic framework DUT-49 for different gases and temperatures.

Cobalt substitution in a flexible metal–organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption

2019 ◽  
Vol 48 (21) ◽  
pp. 7100-7104 ◽  
Author(s):  
Jiaxing Zhu ◽  
Junye Chen ◽  
Tianze Qiu ◽  
Mingli Deng ◽  
Qingshu Zheng ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Paddle Wheel ◽  
Gate Opening ◽  
Cobalt Substitution ◽  
Metal Organic ◽  
Flexible Framework ◽  
Coordination Bonds ◽  
Flexible Metal ◽  
Organic Framework

We achieved a tunable Pgo for gas adsorption in a flexible framework by modulating the dynamic rearrangement of coordination bonds of paddle-wheel unit via cobalt substitution.

scholarly journals The Role of Temperature and Adsorbate on Negative Gas Adsorption in the Mesoporous Metal-Organic Framework DUT-49

2020 ◽  
Author(s):  
Simon Krause ◽  
Jack D. Evans ◽  
Volodymyr Bon ◽  
Irena Senkovska ◽  
François-Xavier Coudert ◽  
...  
Keyword(s):  
Elevated Temperatures ◽  
Gas Adsorption ◽  
Metal Organic Framework ◽  
Temperature Decrease ◽  
Extensive Investigation ◽  
Metal Organic ◽  
Mesoporous Metal ◽  
Different Gases ◽  
Organic Framework

In this contribution, we present an extensive investigation of adsorption of a range of different gases at various temperatures in DUT-49, a metal-organic framework which features a negative gas adsorption (NGA) transition. Adsorption experiments at temperatures ranging from 21 to 308 K, were used to identify, for each guest, a critical temperature range in which NGA occurs. The experimental results were complemented by molecular simulations that rationalize the absence of NGA at elevated temperatures and the non-monotonic behavior observed upon temperature decrease.

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