scholarly journals Molecular simulation of carbon dioxide adsorption in chemically and structurally heterogeneous porous carbons

2006 ◽  
Vol 25 (4) ◽  
pp. 343-354 ◽  
Author(s):  
C.M. Tenney ◽  
C.M. Lastoskie
Keyword(s):  
Carbon Dioxide ◽  
Molecular Simulation ◽  
Carbon Dioxide Adsorption ◽  
Porous Carbons

scholarly journals Molecular simulation studies of hydrocarbon and carbon dioxide adsorption on coal

2015 ◽  
Vol 12 (4) ◽  
pp. 692-704 ◽  
Author(s):  
Junfang Zhang ◽  
Keyu Liu ◽  
M. B. Clennell ◽  
D. N. Dewhurst ◽  
Zhejun Pan ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Molecular Simulation ◽  
Simulation Studies ◽  
Carbon Dioxide Adsorption

Understanding Carbon Dioxide Adsorption in Carbon Nanotube Arrays: Molecular Simulation and Adsorption Measurements

2013 ◽  
Vol 117 (26) ◽  
pp. 13492-13501 ◽  
Author(s):  
Mahshid Rahimi ◽  
Jayant K. Singh ◽  
Deepu J. Babu ◽  
Jörg J. Schneider ◽  
Florian Müller-Plathe
Keyword(s):  
Carbon Dioxide ◽  
Carbon Nanotube ◽  
Molecular Simulation ◽  
Nanotube Arrays ◽  
Carbon Dioxide Adsorption ◽  
Carbon Nanotube Arrays

Effect of Porosity Parameters and Surface Chemistry on Carbon Dioxide Adsorption in Sulfur-Doped Porous Carbons

Langmuir ◽  
2018 ◽  
Vol 34 (22) ◽  
pp. 6358-6366 ◽  
Author(s):  
En-Jie Wang ◽  
Zhu-Yin Sui ◽  
Ya-Nan Sun ◽  
Zhuang Ma ◽  
Bao-Hang Han
Keyword(s):  
Carbon Dioxide ◽  
Surface Chemistry ◽  
Carbon Dioxide Adsorption ◽  
Porous Carbons

Influence of intramolecular interactions on carbon dioxide gas adsorption capacity in Mesoporous Imine polymers

2018 ◽  
Author(s):  
Jaya Prakash Madda ◽  
Pilli Govindaiah ◽  
Sushant Kumar Jena ◽  
Sabbhavat Krishna ◽  
Rupak Kishor
Keyword(s):  
Carbon Dioxide ◽  
Adsorption Capacity ◽  
Density Functional ◽  
Gas Adsorption ◽  
Ambient Pressure ◽  
Condensation Reaction ◽  
Intramolecular Interactions ◽  
Carbon Dioxide Adsorption ◽  
Nitrogen Gas ◽  
Adsorption Characteristic

<p>Covalent organic Imine polymers with intrinsic meso-porosity were synthesized by condensation reaction between 4,4-diamino diphenyl methane and (para/meta/ortho)-phthaladehyde. Even though these polymers were synthesized from precursors of bis-bis covalent link mode, the bulk materials were micrometer size particles with intrinsic mesoporous enables nitrogen as well as carbon dioxide adsorption in the void spaces. These polymers were showed stability up to 260<sup>o</sup> centigrade. Nitrogen gas adsorption capacity up to 250 cc/g in the ambient pressure was observed with type III adsorption characteristic nature. Carbon dioxide adsorption experiments reveal the possible terminal amine functional group to carbamate with CO<sub>2</sub> gas molecule to the polymers. One of the imine polymers, COP-3 showed more carbon dioxide sorption capacity and isosteric heat of adsorption (Q<sub>st</sub>) than COP-1 and COP-2 at 273 K even though COP-3 had lower porosity for nitrogen gas than COP-1 and COP-2. We explained the trends in gas adsorption capacities and Qst values as a consequence of the intra molecular interactions confirmed by Density Functional Theory computational experiments on small molecular fragments.</p>

scholarly journals Rice husk-based biochar for carbon dioxide adsorption in biogas

2020 ◽  
Vol 599 ◽  
pp. 012021
Author(s):  
A Pertiwiningrum ◽  
R N Besari ◽  
M A Wuri ◽  
A W Harto ◽  
N A Fitriyanto ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Rice Husk ◽  
Carbon Dioxide Adsorption
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