Computer modelling of trace SO2 and NO2 removal from flue gases by utilizing Zn(ii) MOF catalysts

Author:

Muthukumar D.12,Nagaraja C. M.3ORCID,Badawi Michael2ORCID,Pillai Renjith S.14ORCID

Affiliation:

1. Department of Chemistry, CHRIST (Deemed to be University), Bangalore, Karnataka, India

2. Laboratoire de Physique et Chimie Théoriques UMR CNRS 7019 Université de Lorraine, Nancy, France

3. Department of Chemistry, Indian Institute of Technology, Ropar, Rupnagar 140001, Punjab, India

4. Analytical and Spectroscopy Division, ASCG/PCM, Vikram Sarabhai Space Centre, Indian Space Research Organization, Thiruvananthapuram - 695 022, Kerala, India

Abstract

Theoretical investigations on the adsorption and chemical conversion of SO2 and NO2 gases by using porous Zn(ii)-MOFs with multiple functional sites.

Funder

Science and Engineering Research Board

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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