Investigation of the microscopic mechanism of H2O adsorption by low-rank coal slit pores through GCMC and MD simulations

This study investigates the influence of pore structure on H2O adsorption in low-rank coal (LRC) models at a molecular level, employing variously sized LRC slit-pore models·H2O adsorption behavior is analyzed across different pore sizes ranging from 0.001 to 100 kPa fugacity, by employing the Grand...

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Bibliographic Details
Main Authors: Dan Zhao, Xiaoqing Liu
Format: Article
Language:English
Published: Elsevier 2024-04-01
Series:Arabian Journal of Chemistry
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S1878535224000996