Surface modification induced enhanced CO2 sorption in cucurbit[6]uril, an organic porous material

Literature Information

Publication Date 2017-08-29
DOI 10.1039/C7CP03866F
Impact Factor 3.676
Authors

Midhun Mohan, T. Suzuki, Saju Pillai, K. G. K. Warrier, U. S. Hareesh, J. D. Gale


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Abstract

The CO2 adsorption properties of an organic macrocycle, cucurbit[6]uril (CB[6]), have been evaluated through experimental and theoretical studies. Quantum mechanical calculations show that CB[6] is capable of adsorbing the CO2 molecule selectively within its cavity relative to nitrogen. Adsorption experiments at 298 K and at 1 bar pressure gave a CO2 adsorption value of 1.23 mmol g−1 for the unmodified material. Significant enhancements in the CO2 adsorption capacity of the material were experimentally demonstrated through surface modification using physical and chemical methods. Ethanolamine (EA) modified CB[6] provided an excellent sorption selectivity value of 121.4 for CO2/N2 at 323 K and is unique with respect to its discrimination potential between CO2 and N2. The chemical nature of the interaction between CO2 and amine is shown to be the primary mechanism for the enhanced CO2 absorption performance.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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