The evolution of atomistic structure and mechanical property of coke in the gasification process with CO2 and H2O at different temperatures: A ReaxFF molecular dynamics study-Reference-Cited by-同舟云学术

The evolution of atomistic structure and mechanical property of coke in the gasification process with CO2 and H2O at different temperatures: A ReaxFF molecular dynamics study

Published:2023-11-13 Issue:12 Volume:29 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Xiong Zixin,Li Kejiang,Bu Yushan,Liang Zeng,Zhang Hang,Liao Haotian,Zhou Feng,Zhang Jianliang

Funder

the Young Elite Scientist Sponsorship Program by CAST

the National Natural Science Foundation of China

National Key Research and Development Program of China

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s00894-023-05773-4.pdf

Reference35 articles.

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4. Hasanbeigi A, Arens M, Price L (2014) Alternative emerging ironmaking technologies for energy-efficiency and carbon dioxide emissions reduction: a technical review. Renew Sustain Energy Rev 33:645–658

5. Xu R, Dai B, Wang W, Schenk J, Bhattacharyya A, Xue Z (2018) Gasification reactivity and structure evolution of metallurgical coke under H2O/CO2 atmosphere. Energy Fuels 32(2):1188–1195

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