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Modelling the adsorption of short alkanes in protonated chabazite: The impact of dispersion forces and temperature

GÖLTL, Florian1 ; HAFNER, Jürgen1
[1] Fakultät für Physik and Center for Computational Materials Science, Universität Wien, Sensengasse 8/12, 1090 Wien, Austria
Conference title
'Innovations in Zeolites and ordered Poreous Solids'
Conference name
International FEZA Conference (5 ; Valencia 2011-07-03)
Author (monograph)
CORMA CANOS, Avelino (Editor)1 ; BELLUSSI, Giuseppe (Editor)2 ; REY, Fernando (Editor)1 ; KAUCIC, Venčeslav (Editor)3
Federation of European Zeolite Associations, Spanish Zeolite Group, Europe (Organiser of meeting)
[1] Inst. de Tecnologia Quimica, Universidad Politécnica de Valencia, UPV-CSIC, Av. De los Naranjos s/n, Valencia 46022, Spain
[2] Processi Catalitici Enitecnologie, S.P.A. Via Felice Maritano, 26, San Donato Milanese 20097, Italy
[3] General National Institute of Chemistry, P.O. Box 30, Ljubljana 61115, Slovenia

Microporous and mesoporous materials. 2013, Vol 166, pp 176-184, 9 p ; ref : 31 ref

Scientific domain
General chemistry, physical chemistry; Condensed state physics
Elsevier, San Diego, CA
Publication country
United States
Document type
Conference Paper
Author keyword
Ab-initio van der Waals interactions Alkane adsorption Molecular dynamics Zeolites
Keyword (fr)
Adsorption Alcane Chabazite Dispersion Dynamique moléculaire Effet température Force Interaction van der Waals Matériau poreux Méthode ab initio Zéolite Hydrocarbure Tamis moléculaire
Keyword (en)
Adsorption Alkane Chabazite Dispersion Molecular dynamics Temperature effect Force Van der Waals interaction Porous material Ab initio method Zeolite Hydrocarbon Molecular sieve
Keyword (es)
Adsorción Alcano Chabasita Dispersión Dinámica molecular Efecto temperatura Fuerza Interacción van der Waals Material poroso Método ab initio Zeolita Hidrocarburo Tamiz molecular
001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01I Surface physical chemistry / 001C01I05 Ion-exchange / 001C01I05A Zeolites: preparations and properties

001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01J Colloidal state and disperse state / 001C01J08 Porous materials

General chemistry and physical chemistry
INIST identifier

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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