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Accelerating amine-based CO_(2)capture with machine learning:From molecular screening to process optimization

Ping Yang Xiaoman Yu Kyriakos C.Stylianou Liang Huang Qiang Wang

Fundamental Research2026，Vol.6Issue(2)：P.604-619,16.

Fundamental Research2026，Vol.6Issue(2)：P.604-619,16.DOI:10.1016/j.fmre.2025.12.022

Accelerating amine-based CO_(2)capture with machine learning:From molecular screening to process optimization

Ping Yang ¹Xiaoman Yu ¹Kyriakos C.Stylianou ²Liang Huang ¹Qiang Wang¹

作者信息

1. College of Environmental Science and Engineering,Beijing Forestry University,Beijing 100083,China State Key Laboratory of Efficient Production of Forest Resources,Beijing Forestry University,Beijing 100083,China
2. Department of Chemistry,Oregon State University,Corvallis 97331,OR,USA
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摘要

关键词

Machine learning/Carbon dioxide capture/Amine-based sorbents/Performance prediction/Virtual screening/Process optimization/Mechanistic analysis/Multiscale modeling

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Ping Yang,Xiaoman Yu,Kyriakos C.Stylianou,Liang Huang,Qiang Wang..Accelerating amine-based CO_(2)capture with machine learning:From molecular screening to process optimization[J].Fundamental Research,2026,6(2):P.604-619,16.

基金项目

supported by grants from the National Natural Science Foundation of China(52225003,52570117). （52225003,52570117）

Fundamental Research

ISSN：2096-9457

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