The behaviour of water confined in zeolites: molecular dynamics simulations versus experiment
- Author
- DEMONTIS, P1 ; GULIN-GONZALEZ, J2 ; MASIA, M1 ; SUFFRITTI, G. B1
[1] Dipartimento di Chimica, Università di Sassari and INSTM, Unità di ricerca di Sassari, Via Vienna 2, 07100 Sassari, Italy
[2] Grupo de Matemática y FiAAsica Computacionales, Universidad de las Ciencias Informáticas (UCI), Carretera a San Antonio de los Banos, Km 21/2, Torrens, La Habana, Cuba - Conference name
- Modeling and Simulation of Water at Interfaces from Ambient to Supercooled Conditions. Workshop (2009)
- Source
Journal of physics. Condensed matter (Print). 2010, Vol 22, Num 28 ; 284106.1-284106.13 ; ref : 144 ref
- CODEN
- JCOMEL
- ISSN
- 0953-8984
- Scientific domain
- Crystallography; Metallurgy, welding; Condensed state physics
- Publisher
- Institute of Physics, Bristol
- Publication country
- United Kingdom
- Document type
- Conference Paper
- Language
- English
- Keyword (fr)
- Adsorption liquide solide Confinement Degré recouvrement Equation Arrhenius Hydratation Liquide sous refroidi Matériau poreux Méthode dynamique moléculaire Méthode empirique Méthode fonctionnelle densité Nanoamas Potentiel modèle Surfusion Zéolite
- Keyword (en)
- Liquid solid adsorption Confinement Coverage rate Arrhenius equation Hydration Supercooled liquid Porous material Molecular dynamics method Empirical method Density functional method Nanocluster Model potential Supercooling Zeolite
- Keyword (es)
- Adsorción líquido sólido Confinamiento Grado recubrimiento Ecuación Arrenio Hidratación Líquido subenfríado Material poroso Método dinámico molecular Método empírico Nanomontón Potencial modelo Sobrefusión Zeolita
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01I Surface physical chemistry / 001C01I05 Ion-exchange / 001C01I05A Zeolites: preparations and properties
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 23025865
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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DOI
10.1088/0953-8984/22/28/284106 
https://dx.doi.org/10.1088/0953-8984/22/28/284106
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