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>

Carbon Capture Performance of Amino-Modified MIL-101 at Room Temperature

2013 ◽  
Vol 395-396 ◽  
pp. 637-640
Author(s):  
Yi Yang ◽  
Zheng Ping Wang ◽  
Ling Meng ◽  
Lian Jun Wang
Keyword(s):  
Carbon Dioxide ◽  
Specific Surface ◽  
Pore Structure ◽  
Carbon Capture ◽  
Room Temperature ◽  
Ambient Pressure ◽  
Metal Organic Framework ◽  
Adsorption Properties ◽  
Carbon Dioxide Adsorption ◽  
Before And After

MIL-101, a metal-organic framework material, was synthesized by the high-temperature hydrothermal method. Triethylenetetramine (TETA) modification enabled the effective grafting of an amino group onto the surface of the materials and their pore structure. The crystal structure, micromorphology, specific surface area, and pore structure of the samples before and after modification were analyzed with an X-ray diffractometer, scanning electron microscope, specific surface and aperture tester, and infrared spectrometer. The carbon dioxide adsorption properties of the samples were determined by a thermal analyzer before and after TETA modification. Results show that moderate amino modification can effectively improve the microporous structure of MIL-101 and its carbon dioxide adsorption properties. After modification, the capacity of MIL-101 to adsorb carbon dioxide decreased only by 0.61 wt%, and a high adsorption capacity of 9.45 wt% was maintained after six cycles of adsorption testing at room temperature and ambient pressure.

Carbon dioxide adsorption and activation on gallium phosphide surface monitored by ambient pressure x-ray photoelectron spectroscopy

2021 ◽  
Vol 54 (23) ◽  
pp. 234002
Author(s):  
Yifan Ye ◽  
Hongyang Su ◽  
Kyung-Jae Lee ◽  
David Larson ◽  
Carlos Valero-Vidal ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Photoelectron Spectroscopy ◽  
Gallium Phosphide ◽  
Ambient Pressure ◽  
Carbon Dioxide Adsorption ◽  
X Ray

Preparation of CuS/SiO2 Composite Modified Aerogel and Its Superoleophobic and Photocatalytic Properties

NANO ◽  
2020 ◽  
Vol 15 (02) ◽  
pp. 2050017
Author(s):  
Ke-Cheng Yang ◽  
Li-Hui Xu ◽  
Hong Pan ◽  
Li-Ming Wang ◽  
Yong Shen ◽  
...  
Keyword(s):  
Gas Adsorption ◽  
Ambient Pressure ◽  
Sol Gel ◽  
Photocatalytic Properties ◽  
X Ray Diffraction ◽  
Sliding Angle ◽  
Nitrogen Gas ◽  
Ir Spectrometry ◽  
X Ray ◽  
Ft Ir

In this study, CuS/SiO2 composite modified aerogel was prepared by the incorporation of hollow spherical CuS into methyltrimethoxysilane-based SiO2 sol and modification with hexadecafluorodecyltriethoxysilane via acid-base catalyzed sol–gel reaction and drying under ambient pressure. The CuS/SiO2 composite modified aerogel was characterized by Fourier-transform infrared (FT-IR) spectrometry, scanning electron microscope (SEM), nitrogen gas adsorption and desorption and X-ray diffraction (XRD), respectively. The effects of CuS and fluorosilane concentration on density and porosity of aerogel, oleophobic and photocatalytic properties were evaluated. The results showed that structure and physical properties of aerogel had some effect by introducing CuS and fluorosilane, and the CuS/SiO2 composite modified aerogel with density of 0.146[Formula: see text]g/cm3 and specific surface area of 241[Formula: see text]m2/g achieved super-oleophobicity with oil contact angle of 152.8∘ and sliding angle of 10∘, and good photocatalytic properties for methylene blue.

scholarly journals Effect of Swelling on Carbon Dioxide Adsorption by Poly(Ionic Liquid)s

2012 ◽  
Vol 30 (1) ◽  
pp. 35-41 ◽  
Author(s):  
Jia M. Zhu ◽  
Kai G. He ◽  
Hu Zhang ◽  
Feng Xin
Keyword(s):  
Electron Microscopy ◽  
Carbon Dioxide ◽  
Ionic Liquid ◽  
Adsorption Capacity ◽  
Carbon Dioxide Adsorption ◽  
Ft Ir ◽  
Poly Ionic Liquid ◽  
Porous Poly ◽  
Scanning Electron ◽  
Ft Ir Spectroscopy

A two-step swelling method was used for preparing porous poly(ionic liquid)s based on the copolymer of 1-allyl-3-methylimidazolium tetrafluoroborate and acrylonitrile P([AMIM]BF4-AN), the copolymer of 1-allyl-3-methylimidazolium hexafluorophosphate and acrylonitrile P([AMIM]PF6-AN), and poly(vinylbenzyl trimethylammonium) tetrafluoroborate P[VBTMA]BF4. The characteristics of the polymers were assessed via FT-IR spectroscopy, scanning electron microscopy (SEM) and CO2 adsorption. The results indicated that the seed-swelling method was more effective in improving the CO2 adsorption capacity of imidazolium-based P([AMIM]BF4-AN) containing the [BF4]− anion. Exchanging [BF4]− for [PF6]− in the imidazolium-based poly(ionic liquid) led to almost the same CO2 adsorption as exhibited by the corresponding non-swelling copolymer. Moreover, the CO2 adsorption capacity of ammonium-based P[VBTMA]BF4 when treated by the seed-swelling method decreased considerably.

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.

Adsorption of Carbon Dioxide into Amine Functionalized Ordered Mesoporous Materials

2018 ◽  
Author(s):  
Marcela N. Barbosa ◽  
Maria J. F. Costa ◽  
Maricele N. Barbosa ◽  
Valter J. Fernandes Jr. ◽  
Giancarlo R. Salazar-Banda ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Adsorption Capacity ◽  
Photoelectron Spectroscopy ◽  
Molecular Sieves ◽  
Synthesis Method ◽  
Mesoporous Molecular Sieves ◽  
Carbon Dioxide Adsorption ◽  
X Ray ◽  
Ordered Mesoporous ◽  
Mcm 41

The adsorption of carbon dioxide on amino silanes-functionalized MCM-41 and SBA-15 materials is reported. The functionalization of mesoporous silicas was made by post-synthesis method, by impregnation of 3-aminopropyltriethoxysilane. The obtained materials were characterized by X-ray diffraction, scanning and transmission electron microscopies, nitrogen adsorption-desorption and X-ray photoelectron spectroscopy measurements. The carbon dioxide adsorption capacities for the samples were carried out under ambient pressures. The obtained results evidenced that amino-silanes with a terminal amine (&ndash;NH2) were functionalized through covalent coupling of this group on the surface of the channels in the ordered mesoporous silica, meaning that the amine is anchored on the surface of the bigger pores of the MCM-41 and SBA-15 support. For functionalized materials, the CO2 adsorption capacity of the AMCM-41 increased from 0.18 to 1.1 mmol&middot;g&minus;1, whereas for ASBA-15, it was from 0.6 to 1.8 mmol&middot;g&minus;1. The Lagergren kinetic algorithms were applied in order to validate the obtained results, evidencing the enhanced carbon dioxide adsorption capacity and stability of the functionalized ordered mesoporous molecular sieves.

scholarly journals Molecular Investigation of CO2/CH4 Competitive Adsorption and Confinement in Realistic Shale Kerogen

Nanomaterials ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 1646 ◽  
Author(s):  
Wenning Zhou ◽  
Zhe Zhang ◽  
Haobo Wang ◽  
Xu Yang
Keyword(s):  
Carbon Dioxide ◽  
Adsorption Capacity ◽  
Competitive Adsorption ◽  
Gas Adsorption ◽  
Carbon Dioxide Sequestration ◽  
Type Ii ◽  
Adsorption Performance ◽  
Adsorption Capacities ◽  
Micropore Filling ◽  
Shale Reservoirs

The adsorption behavior and the mechanism of a CO2/CH4 mixture in shale organic matter play significant roles to predict the carbon dioxide sequestration with enhanced gas recovery (CS-EGR) in shale reservoirs. In the present work, the adsorption performance and the mechanism of a CO2/CH4 binary mixture in realistic shale kerogen were explored by employing grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations. Specifically, the effects of shale organic type and maturity, temperature, pressure, and moisture content on pure CH4 and the competitive adsorption performance of a CO2/CH4 mixture were investigated. It was found that pressure and temperature have a significant influence on both the adsorption capacity and the selectivity of CO2/CH4. The simulated results also show that the adsorption capacities of CO2/CH4 increase with the maturity level of kerogen. Type II-D kerogen exhibits an obvious superiority in the adsorption capacity of CH4 and CO2 compared with other type II kerogen. In addition, the adsorption capacities of CO2 and CH4 are significantly suppressed in moist kerogen due to the strong adsorption strength of H2O molecules on the kerogen surface. Furthermore, to characterize realistic kerogen pore structure, a slit-like kerogen nanopore was constructed. It was observed that the kerogen nanopore plays an important role in determining the potential of CO2 subsurface sequestration in shale reservoirs. With the increase in nanopore size, a transition of the dominated gas adsorption mechanism from micropore filling to monolayer adsorption on the surface due to confinement effects was found. The results obtained in this study could be helpful to estimate original gas-in-place and evaluate carbon dioxide sequestration capacity in a shale matrix.

Sign in / Sign up

Export Citation Format

Share Document