Fluorinated metal organic frameworks, MFFIVE-Ni-L (M = Fe/Al, L = pyr), with coordinatively unsaturated metal site for CO2 separation from flue gas in the presence of humidity by computational methods-Reference-Cited by-同舟云学术

Fluorinated metal organic frameworks, MFFIVE-Ni-L (M = Fe/Al, L = pyr), with coordinatively unsaturated metal site for CO2 separation from flue gas in the presence of humidity by computational methods

Published:2021 Issue:2 Volume:50 Page:466-471
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Palakkal Athulya S.¹²³⁴⁵,Pillai Renjith S.¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry

2. Faculty of Engineering and Technology

3. SRM Institute of Science and Technology

4. Chennai

5. India

Abstract

CO₂ capture from flue gas compositon (i.e. CO₂/N₂ = 15/85) under humid condition in coordinatively unsaturated (CUS) square pillared fluorinated metal organic framework (MOF) is computationally investigated with newly derived specific forcerfield.

Funder

Science and Engineering Research Board

Department of Science and Technology, Ministry of Science and Technology, India

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/DT/D0DT03769A

Reference36 articles.

1. The distribution of density matrices over potential-energy surfaces: Application to the calculation of the far-wing line shapes for CO2

2. Examining carbon emissions economic growth nexus for India: A multivariate cointegration approach