Modelling of Mixed-Gas Adsorption and Diffusion in Coalbed Reservoirs

2008 ◽  
Author(s):  
Ji-Quan Shi ◽  
Sevket Durucan
Keyword(s):  
Gas Adsorption ◽  
Mixed Gas ◽  
And Diffusion

Cyclotetrabenzoin Acetate: A Macrocyclic Porous Molecular Crystal for CO2 Separations by Pressure Swing Adsorption

2021 ◽  
Author(s):  
Yao-Ting Wang ◽  
Corie M. McHale ◽  
Xiqu Wang ◽  
Chung-Kai Chang ◽  
Yu-Chun Chuang ◽  
...  
Keyword(s):  
Molecular Crystal ◽  
Pressure Swing Adsorption ◽  
Gas Adsorption ◽  
Close Packing ◽  
Separation Performance ◽  
Mixed Gas ◽  
Water Tolerance ◽  
Pressure Swing ◽  
Breakthrough Experiments ◽  
Group Play

A porous molecular crystal (PMC) assembled by close-packing of macrocyclic cyclotetrabenzoin acetate is an efficient adsorbent for selective CO<sub>2</sub> capture. The 7.1´7.1 Å square pore of PMC and its ester C=O group play important roles in improving its affinity for CO<sub>2</sub> molecules. Thermodynamically, the benzene walls of macrocycle strongly promote CO<sub>2</sub> adsorption via [p···p] interactions at low pressure. In addition, the polar carbonyl groups pointing inward the square channels reduce the size of aperture to a 5.0´5.0 Å square, which offers kinetic selectivity for CO<sub>2</sub> capture. The PMC features water tolerance and high structural stability under vacuum and various gas adsorption conditions, which are rare among intrinsically porous organic molecules. In mixed-gas breakthrough experiments, it exhibits efficient CO<sub>2</sub>/N<sub>2</sub> and CO<sub>2</sub>/CH<sub>4</sub> separations under kinetic flow conditions. Most importantly, the moderate adsorbate–adsorbent interaction allows the PMC to be readily regenerated, and therefore applied to pressure swing adsorption (PSA) processes. The eluted N<sub>2</sub> and CH<sub>4</sub> are obtained with over 99.9% and 99.8% purity, respectively, and the separation performance is stable for 30 cycles. Coupled with its easy synthesis, these properties make cyclotetrabenzoin acetate a promising adsorbent for CO<sub>2</sub> separations from flue and natural gases.

scholarly journals Molecular Simulation of Shale Gas Adsorption and Diffusion in Clay Nanopores

Computation ◽  
2015 ◽  
Vol 3 (4) ◽  
pp. 687-700 ◽  
Author(s):  
Hongguang Sui ◽  
Jun Yao ◽  
Lei Zhang
Keyword(s):  
Molecular Simulation ◽  
Shale Gas ◽  
Gas Adsorption ◽  
And Diffusion

The adsorbate-adsorbate association model in mixed gas adsorption on homogeneous solid surfaces

1980 ◽  
Vol 69 (3) ◽  
pp. 369-378 ◽  
Author(s):  
M. Borówko ◽  
M. Jaroniec ◽  
W. Rudziński
Keyword(s):  
Gas Adsorption ◽  
Solid Surfaces ◽  
Association Model ◽  
Mixed Gas

Mixed-gas adsorption

AIChE Journal ◽  
2001 ◽  
Vol 47 (5) ◽  
pp. 1141-1159 ◽  
Author(s):  
Flor R. Siperstein ◽  
Alan L. Myers
Keyword(s):  
Gas Adsorption ◽  
Mixed Gas
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