Events The 3rd International Electronic Conference on Catalysis Sciences

Event submissions

Published

This submission belongs to the session H. Computational Catalysis of the event The 3rd International Electronic Conference on Catalysis Sciences

Published date

21 Apr, 2025

Academic Editor

José R. B. Gomes

Citation

Manh Tien Nguyen, Dominic R Alfonso, Douglas R Kauffman, Christopher M Marin, Qing Shao, Yuhua Duan, Theoretical study of CO2 capture mechanisms of SrO and Sr(OH)2×nH2O (n=0,1,8), in Proceedings of The 3rd International Electronic Conference on Catalysis Sciences, 23 April–25 April 2025, MDPI: Basel, Switzerland

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Theoretical study of CO2 capture mechanisms of SrO and Sr(OH)2×nH2O (n=0,1,8)

Manh Tien Nguyen ¹

Dominic R Alfonso ¹

Douglas R Kauffman ¹

Christopher M Marin ¹

Qing Shao ²

Yuhua Duan ¹

1. Computational Materials Engineering Team, National Energy Technology Laboratory, Pittsburgh, 15236, United States of America

2. Chemical and Material Science Engineering, University of Kentucky, Lexington 40506, United States of America

Abstract

Keywords

CO2 capture

ab initio thermodynamics

SrO and Sr(OH)2·nH2O (n=0,1,8)