Auteur Dahuan Liu
Documents disponibles écrits par cet auteur (4)
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Yunhua Liu, Auteur ; Dahuan Liu, Auteur ; Qingyuan Yang, Auteur |In this work, grand canonical Monte Carlo (GCMC) simulations were performed to evaluate the separation performance of covalent organic frameworks (COFs) compared with that of metal−organic frameworks (MOFs) for CH4/CO2/H2 mixtures. The simulatio[...]
Article : texte imprimé
Chengcheng Zheng, Auteur ; Dahuan Liu, Auteur ; Qingyuan Yang, Auteur |This work involved a computational study to investigate the influences of framework charges on CO2 uptake in metal−organic frameworks (MOFs), in which a total of 20 MOFs with different topologies, pore sizes, and chemical characteristics were ex[...]
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Dahuan Liu, Auteur ; Wenjie Wang, Auteur ; Jianguo Mi, Auteur |In this work, a systematic computational study was performed to investigate the quantum sieving in nine typical metal–organic frameworks (MOFs) for the separation of hydrogen isotope mixtures. The results show that Cu(F-pymo)2 and CPL-1 exhibit [...]
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Hongliang Huang, Auteur ; Wenjuan Zhang, Auteur ; Dahuan Liu, Auteur |In this work, molecular simulations were performed to investigate the effect of trace amount of water on CO2 capture in natural gas upgrading process in a diverse collection of 25 metal-organic frameworks (MOFs). The results show that the intera[...]
