scholarly journals Exploring the thermodynamic criteria for responsive adsorption processes

2019 ◽  
Vol 10 (19) ◽  
pp. 5011-5017 ◽  
Author(s):  
Jack D. Evans ◽  
Simon Krause ◽  
Stefan Kaskel ◽  
Martin B. Sweatman ◽  
Lev Sarkisov

A general thermodynamic model to investigate responsive adsorption processes in flexible porous materials.

2013 ◽  
Vol 69 (a1) ◽  
pp. s173-s174
Author(s):  
Phoebe K. Allan ◽  
Karena W. Chapman ◽  
Catherine L. Renouf ◽  
Peter J. Chupas ◽  
Simon J. Teat ◽  
...  

2019 ◽  
Author(s):  
Jack D. Evans ◽  
Simon Krause ◽  
Stefan Kaskel ◽  
Martin B. Sweatman ◽  
Lev Sarkisov

<div><div>We describe a general model to explore responsive adsorption processes in flexible porous materials.</div><div>This model combines mean field formalism of the osmotic potential, classical density functional theory of adsorption in slit pore models and generic potential functions which represent the Helmholtz free energy landscape of a porous system.</div><div>Using this model, we focus on recreating flexible adsorption phenomena observed in prototypical metal-organic frameworks, especially the recently discovered effect of negative gas adsorption (NGA).</div><div>We identify the key characteristics required for the model to generate unusual adsorption processes and subsequently employ an extensive parametric study to outline conditions under which gate-opening and NGA are observed.</div><div>This powerful approach will guide the design of responsive porous materials and the discovery of entirely new adsorption processes.</div></div>


2019 ◽  
Author(s):  
Jack D. Evans ◽  
Simon Krause ◽  
Stefan Kaskel ◽  
Martin B. Sweatman ◽  
Lev Sarkisov

<div><div>We describe a general model to explore responsive adsorption processes in flexible porous materials.</div><div>This model combines mean field formalism of the osmotic potential, classical density functional theory of adsorption in slit pore models and generic potential functions which represent the Helmholtz free energy landscape of a porous system.</div><div>Using this model, we focus on recreating flexible adsorption phenomena observed in prototypical metal-organic frameworks, especially the recently discovered effect of negative gas adsorption (NGA).</div><div>We identify the key characteristics required for the model to generate unusual adsorption processes and subsequently employ an extensive parametric study to outline conditions under which gate-opening and NGA are observed.</div><div>This powerful approach will guide the design of responsive porous materials and the discovery of entirely new adsorption processes.</div></div>


2018 ◽  
Author(s):  
Jack D. Evans ◽  
Simon Krause ◽  
Stefan Kaskel ◽  
Martin B. Sweatman ◽  
Lev Sarkisov

<div><div>We describe a general model to explore responsive adsorption processes in flexible porous materials.</div><div>This model combines mean field formalism of the osmotic potential, classical density functional theory of adsorption in slit pore models and generic potential functions which represent the Helmholtz free energy landscape of a porous system.</div><div>Using this model, we focus on recreating flexible adsorption phenomena observed in prototypical metal-organic frameworks, especially the recently discovered effect of negative gas adsorption (NGA).</div><div>We identify the key characteristics required for the model to generate unusual adsorption processes and subsequently employ an extensive parametric study to outline conditions under which gate-opening and NGA are observed.</div><div>This powerful approach will guide the design of responsive porous materials and the discovery of entirely new adsorption processes.</div></div>


2020 ◽  
Author(s):  
Bingqing qian ◽  
Haiqiao Wang ◽  
Dong Wang ◽  
Hao-Bin Zhang ◽  
Jessica Wu ◽  
...  

2018 ◽  
Vol 4 (4) ◽  
pp. 52-63
Author(s):  
V. Yu. Shumskaya ◽  
S. F. Zhandarov ◽  
L. A. Kalinin ◽  
L. F. Ivanov ◽  
V. V. Snezhkov ◽  
...  

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