Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights

Technologies based on water adsorption such as water harvesting from air have tremendous potential in mitigating important global crises such as water scarcity. An important challenge to the deployment of such technologies is finding optimal adsorbent materials. Given the large materials space of av...

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Vydáno v:	AIChE journal Ročník 67; číslo 12
Hlavní autoři:	Datar, Archit, Witman, Matthew, Lin, Li‐Chiang
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Hoboken, USA John Wiley & Sons, Inc 01.12.2021 American Institute of Chemical Engineers
Témata:	Adsorbed water Adsorbents Adsorption Best practice Computer applications ENGINEERING flat histogram methods metal–organic frameworks (MOFs) Monte Carlo simulation Monte Carlo simulations Porous materials Screening water adsorption Water harvesting Water scarcity
ISSN:	0001-1541, 1547-5905
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