Zeolite architecture and composition govern selective adsorption of organophosphorus compounds

The adsorption of organophosphorus compounds (OPCs) in zeolites was systematically investigated through a multi-framework computational study that integrates molecular descriptors with host structural parameters. Four representative guests-trimethylphosphine oxide (TMPO), dimethylmethoxy phosphine (...

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Hlavní autoři:	Faezeh Gorgichi, Mehdi Shahraki, Tayebeh Hadadi, Mar Ríos-Gutiérrez
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	Elsevier 2026-05-01
Edice:	Chemical Engineering Journal Advances
Témata:	Organophosphorus compounds Zeolites Adsorption selectivity Si/Al ratio Grand canonical Monte Carlo Competitive adsorption
On-line přístup:	http://www.sciencedirect.com/science/article/pii/S2666821126000372
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