Molecular dynamics calculations and Monte Carlo simulation of diffusivities in aqueous systems : application to nitrate reduction on bimetal catalyst immobilized in poly(vinyl alcohol)-hydrogel
- Author
- FERGG, F1 ; KEIL, F. J1
[1] Techn. University of Hamburg-Harburg; Dept. Chemical Engineering; Eissendorfer Str. 38, 21073 Hamburg, Germany - Conference title
- Proceedings of the European Symposium on Computer Aided Process Engineering(ESCAPE-8)
- Conference name
- ESCAPE-8: European Symposium on Computer Aided Process Engineering (8 ; Brugge 1998-05-24) = Event of the European Federation of Chemical Engineering (EFCE) (EFCE) (604 ; Brugge 1998-05-24) = Event of the Working Party on Computer Aided Process Engineering (CAPE) (CAPE) (31 ; Brugge 1998-05-24)
- Author (monograph)
- FROMENT, G. F (Editor)1 ; KALITVENTZEFF, B (Editor)2
Royal Flemish Society of Engineers ; Technological Institute, Belgium (Funder/Sponsor)
European Federation of Chemical Engineering, Europe (Funder/Sponsor)
European Federation of Chemical Engineering ; Working Party on Computer Aided Process Engineering, Europe (Funder/Sponsor)
[1] Laboratorium voor Petrochemische Techniek, Universiteit Gent, Belgium
[2] Laboratoire d'Analyse et de Synthèse des Systèmes Chimiques, Université de Liège, Belgium - Source
Computers & chemical engineering. 1998, Vol 22, pp 611-614 ; SUP ; ref : 23 ref
- CODEN
- CCENDW
- ISSN
- 0098-1354
- Scientific domain
- Chemical engineering; Computer science
- Publisher
- Elsevier, Oxford
- Publication country
- United Kingdom
- Document type
- Conference Paper
- Language
- English
- Keyword (fr)
- Catalyseur mixte Coefficient diffusion Cuivre Dénitrification Hydrogel Hydrogène Méthode Monte Carlo Méthode dynamique moléculaire Nitrate Platine Potassium Nitrate Propriété transport Réaction catalytique Réduction chimique Simulation numérique Solution aqueuse Traitement eau potable Vinylique alcool polymère Métal transition Platinoïde
- Keyword (en)
- Mixed catalyst Diffusion coefficient Copper Denitrification Hydrogel Hydrogen Monte Carlo method Molecular dynamics method Nitrates Platinum Potassium Nitrates Transport properties Catalytic reaction Chemical reduction Numerical simulation Aqueous solution Drinking water treatment Polyvinylalcohol Transition metal Platinoid
- Keyword (es)
- Catalizador mixto Coeficiente difusión Cobre Desnitrificación Hidrogel Hidrógeno Método Monte Carlo Método dinámico molecular Nitrato Platino Potasio Nitrato Propiedad transporte Reacción catalítica Reducción química Simulación numérica Solución acuosa Tratamiento agua potable Vinílico alcohol polímero Metal transición Platinoide
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01A Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry / 001C01A03 Catalysis / 001C01A03B Catalytic reactions
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D16 Pollution / 001D16A Water treatment and pollution / 001D16A02 Drinking water and swimming-pool water. Desalination
- Discipline
- General chemistry and physical chemistry Pollution
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 2276453
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/S0098-1354(98)00107-0 
https://dx.doi.org/10.1016/S0098-1354(98)00107-0
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