Mechanism of benzene diffusion in MOF-5: A molecular dynamics investigation
- Author
- AMIRJALAYER, Saeed1 ; SCHMID, Rochus1
[1] Lehrstuhl für Anorganische Chemie 2, Organometallics and Materials Chemistry, Ruhr-Universität Bochum, Universitätsstr. 150, 44780 Bochum, Germany - Issue title
- Diffusion in Micropores
- Author (monograph)
- STALLMACH, Frank (Editor)1 ; SNURR, Randall (Editor)2 ; THEODOROU, Doros (Editor)3 ; STÖCKER, Michael (Editor)4
[1] Fakultät für Physik un Geowissenchaften, Universität Leipzig, Leipzig 04103, Germany
[2] Department of Chemical and Biologial Engineering, Northwestern University, Evanston, IL 60208-3120, United States
[3] Sorption and Diffusion in Zeolites, Institute of Physical Chemistry- Demokritos, 15310 Ag. Paraskevi, Attiki, Greece
[4] SINTEF Materials and Chemistry, 0314 Oslo, Norway - Source
Microporous and mesoporous materials. 2009, Vol 125, Num 1-2, pp 90-96, 7 p ; ref : 83 ref
- ISSN
- 1387-1811
- Scientific domain
- General chemistry, physical chemistry; Condensed state physics
- Publisher
- Elsevier, San Diego, CA
- Publication country
- United States
- Document type
- Article
- Language
- English
- Author keyword
- Diffusion mechanism Metal organic framework Molecular dynamics simulation Self-diffusion
- Keyword (fr)
- Autodiffusion Benzène Coefficient diffusion Diffusion Diffusivité Dynamique moléculaire Energie libre Force Interaction attraction Liaison Liquide Microporosité Mécanisme Méthodologie Phénomène transport Pore Simulation Solvatation Topologie Transport Ferrocène Matériau poreux Métallocène Propriété thermodynamique
- Keyword (en)
- Self diffusion Benzene Diffusion coefficient Diffusion Diffusivity Molecular dynamics Free energy Force Attraction interaction Binding Liquid Microporosity Mechanism Methodology Transport process Pore Simulation Solvation Topology Transport Porous material Metallocene Thermodynamic properties
- Keyword (es)
- Autodifusión Benceno Coeficiente difusión Difusión Difusibilidad Dinámica molecular Energía libre Fuerza Interacción atracción Enlace Líquido Microporosidad Mecanismo Metodología Fenómeno transporte Poro Simulación Solvatación Topología Transporte Material poroso Metaloceno Propiedad termodinámica
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01J Colloidal state and disperse state / 001C01J08 Porous materials
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 21937698
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
10.1016/j.micromeso.2009.02.006 
https://dx.doi.org/10.1016/j.micromeso.2009.02.006
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