High-efficiency prediction of water adsorption performance of porous adsorbents by lattice grand canonical Monte Carlo molecular simulation
A lattice GCMC method (LGCMC) was attempted to accurately and rapidly simulate the water adsorption performance of adsorbents using a coarse-grained Molinero water (mW) model.
Authors
- Song Li (ORCID: https://orcid.org/0000-0003-3552-3250)
- Zhilu Liu (ORCID: https://orcid.org/0000-0002-5995-3952)
- Wei Li (ORCID: https://orcid.org/0009-0001-8671-6362)
Institutions
- Jinan University (CN)
- Huazhong University of Science and Technology (CN)
Publication Details
- Journal
- RSC Applied Interfaces
- Published
- 2024-11-18
- DOI
- https://doi.org/10.1039/d4lf00354c
- Citations
- 9
- Primary Topic
- Catalytic Processes in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 1.05
Funders
- Georgia Institute of Technology
- Northwestern University
- National Natural Science Foundation of China