Work

Molecular Insights into the CO 2 Mineralization Process with Tricalcium Silicate

Year: 2024

Type: article

Abstract: High Resolution Image Download MS PowerPoint Slide CO 2 mineralization, a pivotal technology in CO 2 capture, storage, and utilization, promises to convert industrial waste into valuable industrial products. However, the intricate reaction mechanism and rate-limiting process remain inadequately elucidated. The suitable reaction conditions should be clarified when designing industrial produce. In this study, we comprehensively examined the reaction kinetics and conversion rates of C 3 S under varying conditions and degrees of dispersion by reactive molecular dynamics simulation. Furthermore, we set up a sophisticated model depicting C 3 S encased within a water film, mirroring its prevalent configuration in moist environments. The results show that the reaction is fast when the temperature is 328 K. The conversion rate tends to decrease under elevated pressure when it is higher than 1.0 MPa, while the temperature has a minimal impact. Fragmentation of solid waste can increase the degree of dispersion, disrupting the crystal structure and expanding the reaction surface area, thereby accelerating the reaction. The presence of a water film impedes mass transfer, consequently reducing the reaction speed. The present study sheds light on the reaction mechanism of the CO 2 mineralization process.

Source: ACS Omega

DOI: 10.1021/acsomega.4c07044

Authors: Erchao Li, Jianan Zheng, Junjie Lin, Tao Wang, Kun Luo, Jianren Fan

Institutions: State Key Laboratory of Clean Energy Utilization, Zhejiang University

Language: English

Topic: CO2 Sequestration and Geologic Interactions

Subfield: Environmental Engineering

Field: Environmental Science

Domain: Physical Sciences

SDGs: Responsible consumption and production, Climate action

Open Access status: gold

Estimated APC paid: $1,935