Structure-activity relationship for CO2 absorbent

Hongwei Li, Zhigang Tang, Zhimin He, Xia Gui, Longpeng Cui and Xian-zhong Mao

Energy, 2020, vol. 197, issue C

Abstract: In order to show the structure-activity relationship for CO2 absorbent, and identify or screen novel and efficient physical solvents of CO2, the constant-volume method, the Peng-Robinson equation of state, and a molecular simulation were used to investigate the impacts of type of functional groups, carbon chain length and number of functional groups for nine physical solvents. The three methods produced highly consistent results. Comparison of the CO2 solubility in solvents with the same carbon numbers but different functional groups suggested that the ester group could promote CO2 absorption. Investigation of the CO2 solubility in solvents with one ester group but different carbon chain lengths revealed that longer carbon chains could enhance CO2 absorption. Analyses of the CO2 solubility of solvents with one and two ester groups demonstrated that more ester groups could further increase the CO2 absorption. Therefore, the presence and number of ester groups and increased carbon chain length could promote CO2 absorption. It provides direction and method for screening of highly efficient CO2 absorbents and for the design and synthesis of new solvents.

Keywords: CO2 absorption; Physical solvent; Functional group; Carbon chain length; Ester group (search for similar items in EconPapers)
Date: 2020
References: View references in EconPapers View complete reference list from CitEc
Citations: View citations in EconPapers (2)

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/S0360544220302735
Full text for ScienceDirect subscribers only

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:energy:v:197:y:2020:i:c:s0360544220302735

DOI: 10.1016/j.energy.2020.117166

Access Statistics for this article

Energy is currently edited by Henrik Lund and Mark J. Kaiser

More articles in Energy from Elsevier
Bibliographic data for series maintained by Catherine Liu ().