In silico studies on the origin of selective uptake of carbon dioxide with cucurbit[7]uril amorphous material
Author:
Affiliation:
1. Computation and Simulation Unit
2. Analytical Discipline & Centralized Instrument Facility, and Academy of Scientific and Innovative Research
3. CSIR-Central Salt and Marine Chemicals Research Institute
4. Bhavnagar
5. India
Abstract
The efficient capture and storage of flue gases is of current interest due to environmental problems. The DFT calculation demonstrates the origin of the physisorption of flue gases (CO2, N2and CH4) on amorphous solid cucurbit[7]uril.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA13394G
Reference49 articles.
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