Carbon dioxide adsorption on doped boron nitride nanotubes

RSC Advances ◽  
2014 ◽  
Vol 4 (54) ◽  
pp. 28249-28258 ◽  
Author(s):  
Edson N. C. Paura ◽  
Wiliam F. da Cunha ◽  
João Batista Lopes Martins ◽  
Geraldo Magela e Silva ◽  
Luiz F. Roncaratti ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Boron Nitride ◽  
Adsorption Process ◽  
Gas Adsorption ◽  
Boron Nitride Nanotubes ◽  
Carbon Dioxide Adsorption

Boron nitride nanotubes are promising structures as far as gas adsorption process is concerned.

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>

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>

The Influence of Coal Adsorbing Methane and Carbon Dioxide on Gas Outburst

2014 ◽  
Vol 1049-1050 ◽  
pp. 101-104 ◽  
Author(s):  
De Zhu Cheng ◽  
Ai Ling Du ◽  
Ai Qin Du
Keyword(s):  
Carbon Dioxide ◽  
High Pressure ◽  
Langmuir Isotherm ◽  
Gas Adsorption ◽  
Good Description ◽  
Methane Adsorption ◽  
Pulverized Coal ◽  
Carbon Dioxide Adsorption ◽  
Adsorption Experiment ◽  
Anthracite Coal

Methane and carbon dioxide of different pressures were absorbed by the anthracite coal for 5 hours in high pressure reactor. When adsorption experiment was completed, pressure is reduced quickly. The content of pulverized coal which was produced by releasing gas quickly, was used to reflect capacity of gas adsorption. The result showed that the content of pulverized coal which was produced by adsorbing CH4 was higher than that was produced by adsorbing CO2 on the same coal under the same pressure. Langmuir isotherm and Freundlich isothermal can describe coal methane adsorption. Freundlich isothermal can be a good description of coal carbon dioxide adsorption.

scholarly journals Boron Nitride Nanotubes for Curcumin Delivery as an Anticancer Drug: A DFT Investigation

2022 ◽  
Vol 12 (2) ◽  
pp. 879
Author(s):  
Suleiman Nafiu ◽  
Vitus Atanga Apalangya ◽  
Abu Yaya ◽  
Edward Benjamin Sabi
Keyword(s):  
Boron Nitride ◽  
Anticancer Drug ◽  
Density Functional ◽  
Adsorption Process ◽  
Drug Carrier ◽  
Boron Nitride Nanotubes ◽  
Functional Theory ◽  
Energy Gaps ◽  
Homo And Lumo ◽  
Homo Lumo

The electrical properties and characteristics of the armchair boron nitride nanotube (BNNT) that interacts with the curcumin molecule as an anticancer drug were studied using ab initio calculations based on density functional theory (DFT). In this study, a (5,5) armchair BNNT was employed, and two different interactions were investigated, including the interaction of the curcumin molecule with the outer and inner surfaces of the BNNT. The adsorption of curcumin molecules on the investigated BNNT inside the surface is a more favorable process than adsorption on the outside surface, and the more persistent and stronger connection correlates with curcumin molecule adsorption in this case. Furthermore, analysis of the HOMO–LUMO gap after the adsorption process showed that the HOMO value increased marginally while the LUMO value decreased dramatically in the curcumin-BNNT complexes. As a result, the energy gaps between HOMO and LUMO (Eg) are narrowed, emphasizing the stronger intermolecular bonds. As a result, BNNTs can be employed as a drug carrier in biological systems to transport curcumin, an anticancer medication, and thereby improve its bioavailability.

scholarly journals A quantum chemistry study of curvature effects on boron nitride nanotubes/nanosheets for gas adsorption

2016 ◽  
Vol 18 (29) ◽  
pp. 19944-19949 ◽  
Author(s):  
Haoyan Sha ◽  
Roland Faller
Keyword(s):  
Boron Nitride ◽  
Quantum Chemistry ◽  
Noble Gases ◽  
Gas Adsorption ◽  
Boron Nitride Nanotubes ◽  
Curvature Effects ◽  
High Level

Various boron nitride sheets interacting with noble gases, oxygen, and water on both sides of the surface were studied using high level DFT.

Carbon dioxide detection by boron nitride nanotubes

2012 ◽  
Vol 108 (2) ◽  
pp. 283-289 ◽  
Author(s):  
Hamze Mousavi ◽  
Jamshid Moradi Kurdestany ◽  
Mehran Bagheri
Keyword(s):  
Carbon Dioxide ◽  
Boron Nitride ◽  
Boron Nitride Nanotubes ◽  
Carbon Dioxide Detection

scholarly journals The Effect of Pore Volume of Hard Coals on Their Susceptibility to Spontaneous Combustion

2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
Agnieszka Dudzińska
Keyword(s):  
Carbon Dioxide ◽  
Porous Structure ◽  
Pore Volume ◽  
Oxygen Diffusion ◽  
Spontaneous Combustion ◽  
Gas Adsorption ◽  
Experimental Studies ◽  
Carbon Dioxide Adsorption ◽  
Adsorption Method

In this paper the results of the experimental studies on a relationship between pore volume of hard coals and their tendency to spontaneous combustion are presented. Pore volumes were determined by the gas adsorption method and spontaneous combustion tendencies of coals were evaluated by determination of the spontaneous combustion indexesSzaandSza′on the basis of the current Polish standards. An increase in the spontaneous combustion susceptibility of coal occurs in the case of the rise both in micropore volumes and in macropore surfaces. Porosity of coal strongly affects the possibility of oxygen diffusion into the micropores of coal located inside its porous structure. The volume of coal micropores determined on the basis of the carbon dioxide adsorption isotherms can serve as an indicator of a susceptibility of coal to spontaneous combustion.

Adsorption of carbon dioxide and ammonia in transition metal–doped boron nitride nanotubes

2019 ◽  
Vol 25 (12) ◽  
Author(s):  
Kleuton Antunes Lopes Lima ◽  
Wiliam Ferreira da Cunha ◽  
Fábio Ferreira Monteiro ◽  
Bernhard Georg Enders ◽  
Marcelo Lopes Pereira Jr ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Transition Metal ◽  
Boron Nitride ◽  
Boron Nitride Nanotubes ◽  
Metal Doped
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