Simulating Microwave-Heated Open Systems: Tuning Competitive Sorption in Zeolites

We have developed a new grand canonical molecular dynamics (GCMD) algorithm to study microwave (MW) heating effects on competitive mixture sorption and have applied the method to methanol and benzene in silicalite zeolite. The new algorithm combines MW-driven molecular dynamics with grand canonical...

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Veröffentlicht in:	The journal of physical chemistry. B 2009-10, Vol.113 (42), p.13776-13781
Hauptverfasser:	Santander, Julian E, Conner, W. Curtis, Jobic, Hervé, Auerbach, Scott M
Format:	Artikel
Sprache:	eng
Schlagworte:	Catalysis Chemical Sciences Environment and Society Environmental Sciences
Online-Zugang:	Volltext
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