scholarly journals Effects of Pore Parameters and Functional Groups in Coal on CO2/CH4 Adsorption

ACS Omega ◽  
2021 ◽  
Author(s):  
Kui Dong ◽  
Zhiwei Zhai ◽  
Aijun Guo
Keyword(s):  
Functional Groups ◽  
Ch4 Adsorption

Molecular simulation of CO2/CH4 adsorption in brown coal: Effect of oxygen-, nitrogen-, and sulfur-containing functional groups

2017 ◽  
Vol 423 ◽  
pp. 33-42 ◽  
Author(s):  
Yong Dang ◽  
Lianming Zhao ◽  
Xiaoqing Lu ◽  
Jing Xu ◽  
Pengpeng Sang ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Functional Groups ◽  
Brown Coal ◽  
Ch4 Adsorption ◽  
Effect Of Oxygen ◽  
Sulfur Containing

scholarly journals Improving the CH4 adsorption property and the CO2/CH4 separation of IRMOF-3 by functionalizing the organic linker

2016 ◽  
Vol 19 (3) ◽  
pp. 76-84
Author(s):  
Khung Moc Trang
Keyword(s):  
Functional Groups ◽  
Gas Adsorption ◽  
Adsorption Property ◽  
Diverse Range ◽  
Ideal Adsorbed Solution Theory ◽  
Gcmc Simulation ◽  
High Pressure Range ◽  
Ch4 Uptake ◽  
Ch4 Adsorption ◽  
Organic Linker

Grand Canonical Monte Carlo (GCMC) simulation combining with the ideal adsorbed Solution Theory (IAST) are employed to study the effect of functionality on the CH4 adsorption property and CO2/CH4 selectivity of modified irmof-3 structures which include a diverse range of functional groups. The result shows that phenyl groups containing nitrogen (e.g. pyrazine, pyridine) and carboxyl group are able to increase the interaction energy between gas and mof, thereby increasing the gas adsorption capacity. In addition, transition metals can significantly enhance the CO2/CH4 selectivity. The straight-chain alkyl group and aniline groups just slightly improve the material property compared to other functional groups. We also note that materials with more than 50 percent of modification do not show a good performance at high pressure range (35–40 atm) due to its low porosity. We herein show that the functionalization of IRMOF-3 can remarkably improve the CH4 uptake and CO2/CH4 separation; particularly, GCMC simulation is demonstrated as a beneficial tool to aid experimental chemists in designing new promising porous materials.

Improving integration between functional groups: A case in organization change and implications for theory and practice

1971 ◽  
Author(s):  
Warren G. Bennis ◽  
Michael Beer ◽  
Gerald R. Pieters ◽  
Alan T. Hundert ◽  
Samuel H. Marcus ◽  
...  
Keyword(s):  
Functional Groups ◽  
Organization Change ◽  
Theory And Practice

HYDROXYAPATITE, ALGINATE, AND CHITOSAN FOR BONE SCAFFOLDS: SPECTROSCOPY STUDY

2016 ◽  
Vol 19 (2) ◽  
pp. 93-100
Author(s):  
Lalita El Milla
Keyword(s):  
Tissue Engineering ◽  
Bone Tissue Engineering ◽  
Bone Tissue ◽  
Functional Groups ◽  
Bone Growth ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Tissue Engineering Scaffolds ◽  
Hydroxyapatite Powder ◽  
Materials Used

Scaffolds is three dimensional structure that serves as a framework for bone growth. Natural materials are often used in synthesis of bone tissue engineering scaffolds with respect to compliance with the content of the human body. Among the materials used to make scafffold was hydroxyapatite, alginate and chitosan. Hydroxyapatite powder obtained by mixing phosphoric acid and calcium hydroxide, alginate powders extracted from brown algae and chitosan powder acetylated from crab. The purpose of this study was to examine the functional groups of hydroxyapatite, alginate and chitosan. The method used in this study was laboratory experimental using Fourier Transform Infrared (FTIR) spectroscopy for hydroxyapatite, alginate and chitosan powders. The results indicated the presence of functional groups PO43-, O-H and CO32- in hydroxyapatite. In alginate there were O-H, C=O, COOH and C-O-C functional groups, whereas in chitosan there were O-H, N-H, C=O, C-N, and C-O-C. It was concluded that the third material containing functional groups as found in humans that correspond to the scaffolds material in bone tissue engineering.

High Resolution Displacement of Functional Groups onto Fluorocarbon Resin Surface by Using ArF Excimer Laser

1996 ◽  
Vol 451 ◽  
Author(s):  
T. Shimizu ◽  
M. Murahara
Keyword(s):  
Contact Angle ◽  
High Resolution ◽  
Laser Beam ◽  
Thin Layer ◽  
Functional Groups ◽  
Excimer Laser ◽  
Laser Fluence ◽  
Large Area ◽  
Three Solutions ◽  
Arf Excimer Laser

ABSTRACTA Fluorocarbon resin surface was selectively modified by irradiation with a ArF laser beam through a thin layer of NaAlO2, B(OH)3, or H2O solution to give a hydrophilic property. As a result, with low fluence, the surface was most effectively modified with the NaAlO2 solution among the three solutions. However, the contact angle in this case changed by 10 degrees as the fluence changed only 1mJ/cm2. When modifying a large area of the surface, high resolution displacement could not be achieved because the laser beam was not uniform in displacing functional groups. Thus, the laser fluence was successfully made uniform by homogenizing the laser beam; the functional groups were replaced on the fluorocarbon resin surface with high resolution, which was successfully modified to be hydrophilic by distributing the laser fluence uniformly.

Visible Light-Promoted Catalytic Ring-Opening Isomerization of 1,2-Disubstituted Cyclopropanols to Linear Ketones

2019 ◽  
Author(s):  
Marharyta V. Laktsevich-Iskryk ◽  
Nastassia A. Varabyeva ◽  
Volha V. Kazlova ◽  
Vladimir N. Zhabinskii ◽  
Vladimir A. Khripach ◽  
...  
Keyword(s):  
Visible Light ◽  
Functional Groups ◽  
Ring Opening ◽  
Radical Intermediates ◽  
Reaction Proceeds

In this article, we report a photocatalytic protocol for the isomerization of 1,2-disubstituted cyclopropanols to linear ketones. The reaction proceeds <i>via</i> radical intermediates and tolerates various functional groups.

Visible Light-Promoted Catalytic Ring-Opening Isomerization of 1,2-Disubstituted Cyclopropanols to Linear Ketones

2019 ◽  
Author(s):  
Marharyta V. Laktsevich-Iskryk ◽  
Nastassia A. Varabyeva ◽  
Volha V. Kazlova ◽  
Vladimir N. Zhabinskii ◽  
Vladimir A. Khripach ◽  
...  
Keyword(s):  
Visible Light ◽  
Functional Groups ◽  
Ring Opening ◽  
Radical Intermediates ◽  
Reaction Proceeds

In this article, we report a photocatalytic protocol for the isomerization of 1,2-disubstituted cyclopropanols to linear ketones. The reaction proceeds <i>via</i> radical intermediates and tolerates various functional groups.

Fe-Catalyzed Conjunctive Cross-Couplings of Unactivated Alkenes with Grignard Reagents

2020 ◽  
Author(s):  
Lei Liu ◽  
Wes Lee ◽  
Cassandra R. Youshaw ◽  
Mingbin Yuan ◽  
Michael B. Geherty ◽  
...  
Keyword(s):  
Functional Groups ◽  
Cross Coupling ◽  
Alkyl Halides ◽  
Grignard Reagents ◽  
Turnover Frequency ◽  
Diverse Range ◽  
Cascade Cyclization ◽  
Radical Cascade

The first iron-catalyzed three-component cross-coupling of unactivated olefins with alkyl halides and Grignard reagents is reported. The reaction operates under fast turnover frequency and tolerates a diverse range of sp2-hybridized nucleophiles, alkyl halides, and unactivated olefins bearing diverse functional groups to yield the desired 1,2-alkylarylated products with high regiocontrol. Further, we demonstrate that this protocol is amenable for the synthesis of new (hetero)carbocycles including tetrahydrofurans and pyrrolidines via a three-component radical cascade cyclization/arylation that forges three new C-C bonds.

Broad Assessment of Bioactivity of a Collection of Spiroindane Pyrrolidines Through “Cell Painting”

2020 ◽  
Author(s):  
Zarko Boskovic ◽  
Manvendra Singh ◽  
Zachary Pearson ◽  
Nathan Garza
Keyword(s):  
Biological Activity ◽  
Small Molecules ◽  
Functional Groups ◽  
Organelle Morphology

A collection of small molecules has been synthesized by composing photo-cycloaddition, C-H functionalization, and N-capping strategies. Multidimensional biological fingerprints of molecules comprising this collection have been recorded as changes in cell and organelle morphology. This untargeted, phenotypic approach allowed for a broad assessment of biological activity to be determined. Reproducibility and the magnitude of measured fingerprints revealed activity of several treatments. Reactive functional groups, such as imines, dominated the observed activity. Two non-reactive candidate compounds with distinct bioactivity fingerprints were identified, as well.

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