Density functional theory study on the thermodynamics and mechanism of carbon dioxide capture by CaO and CaO regeneration-Reference-Cited by-同舟云学术

Density functional theory study on the thermodynamics and mechanism of carbon dioxide capture by CaO and CaO regeneration

Published:2016 Issue:45 Volume:6 Page:39460-39468
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Sun Ze¹²³⁴,Wang Jia¹²³⁴,Du Wei¹²³⁴,Lu Guimin¹²³⁴,Li Ping¹²³⁴,Song Xingfu¹²³⁴,Yu Jianguo¹²³⁴

Affiliation:

1. National Engineering Research Center for Integrated Utilization of Salt Lake Resource

2. East China University of Science and Technology

3. Shanghai 200237

4. China

Abstract

The bond length between the C atom in CO₂ and O atom in CaO was about 1.39–1.42 Å, and the bond length of C–O in adsorbed CO₂ was prolonged to 1.26–1.27 Å, while the O–C–O angle of adsorbed CO₂ was about 129°.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA05152A

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