DFT studies for the evaluation of amine functionalized polystyrene adsorbents for selective adsorption of carbon dioxide

RSC Advances ◽  
2014 ◽  
Vol 4 (39) ◽  
pp. 20323-20333 ◽  
Author(s):  
Rupa Shantamal Madyal ◽  
Jyotsna Sudhir Arora
Keyword(s):  
Carbon Dioxide ◽  
Molecular Level ◽  
Selective Adsorption ◽  
Dft Studies ◽  
Amine Functionalized

The current study provides molecular-level insights into the CO2–amine functionalized polystyrene complexes, enabling design of newer CO2 selective adsorbents.

Atom-probe analysis of the solid-liquid interface

1995 ◽  
Vol 53 ◽  
pp. 676-677
Author(s):  
J.A. Panitz
Keyword(s):  
Molecular Level ◽  
Selective Adsorption ◽  
Electronic Devices ◽  
Atom Probe ◽  
Chemical Agent ◽  
Hostile Environment ◽  
Solid Interface ◽  
Solid Liquid Interface ◽  
Solid Liquid ◽  
Chemically Selective

The first few atomic layers of a solid can form a barrier between its interior and an often hostile environment. Although adsorption at the vacuum-solid interface has been studied in great detail, little is known about adsorption at the liquid-solid interface. Adsorption at a liquid-solid interface is of intrinsic interest, and is of technological importance because it provides a way to coat a surface with monolayer or multilayer structures. A pinhole free monolayer (with a reasonable dielectric constant) could lead to the development of nanoscale capacitors with unique characteristics and lithographic resists that surpass the resolution of their conventional counterparts. Chemically selective adsorption is of particular interest because it can be used to passivate a surface from external modification or change the wear and the lubrication properties of a surface to reflect new and useful properties. Immunochemical adsorption could be used to fabricate novel molecular electronic devices or to construct small, “smart”, unobtrusive sensors with the potential to detect a wide variety of preselected species at the molecular level. These might include a particular carcinogen in the environment, a specific type of explosive, a chemical agent, a virus, or even a tumor in the human body.

Electrostatically‐driven Selective Adsorption of Carbon Dioxide over Acetylene in an Ultramicroporous Material

2021 ◽  
Author(s):  
Banglin Chen ◽  
Yi Xie ◽  
Hui Cui ◽  
Hui Wu ◽  
Rui-Biao Lin ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Selective Adsorption

Selective adsorption behaviour of carbon dioxide in OH-functionalized metal–organic framework materials

CrystEngComm ◽  
2017 ◽  
Vol 19 (36) ◽  
pp. 5346-5350 ◽  
Author(s):  
Jinjie Qian ◽  
Jinni Shen ◽  
Qipeng Li ◽  
Yue Hu ◽  
Shaoming Huang
Keyword(s):  
Carbon Dioxide ◽  
Hydrogen Bond ◽  
Selective Adsorption ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Adsorption Behaviour ◽  
Weak Hydrogen Bond ◽  
Oh Groups ◽  
Framework Materials ◽  
Metal Organic

The theoretically optimal adsorption locations in hydroxyl (OH)-decorated metal–organic frameworks show that the captured CO2 molecules interact with the cis-μ2-OH groups in an end-on mode, which shows a moderate to weak hydrogen bond.

Synthesis of amine-functionalized ZIF-8 with 3-amino-1,2,4-triazole by postsynthetic modification for efficient CO2-selective adsorbents and beyond

2018 ◽  
Vol 6 (39) ◽  
pp. 18912-18919 ◽  
Author(s):  
Kie Yong Cho ◽  
Heseong An ◽  
Xuan Huy Do ◽  
Keunsu Choi ◽  
Ho Gyu Yoon ◽  
...  
Keyword(s):  
Selective Adsorption ◽  
Chemical Modifications ◽  
Zeolitic Imidazolate Framework ◽  
Chemical Functionalization ◽  
Postsynthetic Modification ◽  
Amine Functionalized ◽  
Gate Size

The facile tuning of the gate size and the chemical functionalization of zeolitic imidazolate framework-8 (ZIF-8) were achieved by the postsynthetic modification with 3-amino-1,2,4-triazole. The resulting amine functionalized ZIF-8 particles enabled CO2 selective adsorption and further chemical modifications.

Interaction of Oxygen and Carbon Dioxide with Hemoglobin at the Molecular Level

1975 ◽  
pp. 825-839 ◽  
Author(s):  
REINHOLD BENESCH ◽  
RUTH E. BENESCH ◽  
CHRISTIAN BAUER
Keyword(s):  
Carbon Dioxide ◽  
Molecular Level
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