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Molecular simulation of the solubility and diffusion of carbon dioxide and hydrogen sulfide in polyethylene melts

FAURE, Francois1 2 ; ROUSSEAU, Bernard1 ; LACHET, Véronique2 ; UNGERER, Philippe2
[1] Laboratoire de Chimie Physique, Université Paris Sud 11, CNRS, 91405 Orsay, France
[2] Institut Français du Pétrole (IFP), 1&4 Avenue de Bois-Préau, 92852 Rueil-Malmaison, France
Conference title
11th International Conference on Properties and Phase Equilibria for Product and Process Design (PPEPPD), 20-25 May 2007, Crete, Greece
Conference name
PPEPPD 2007 International Conference on Properties and Phase Equilibria for Product and Process Design (11 ; Hersonissos, Crete 2007-05-20)
Author (monograph)
ECONOMOU, Ioannis (Editor)1 ; O'CONNELL, John (Editor)2 ; PANAGIOTOPOULOS, Athanassios (Editor)3 ; THEODOROU, Doros (Editor)4 ; TSONOPOULOS, Costa (Editor)5
[1] National Research Center for Physical Sciences Demokritos, Aghia Paraskevi Attikis, Greece
[2] University of Virginia, Charlottesville, VA, United States
[3] Princeton University, Princeton, NJ, United States
[4] National Technical University of Athens, Athens, Greece
[5] ExxonMobil Research and Engineering Company, Morristown, NJ, United States

Fluid phase equilibria. 2007, Vol 261, Num 1-2, pp 168-175, 8 p ; ref : 39 ref

Scientific domain
General chemistry, physical chemistry
Elsevier Science, Amsterdam
Publication country
Document type
Conference Paper
Author keyword
Diffusion Gas Henry constant Molecular dynamics Monte Carlo Osmotic ensemble Polymer Solubility
Keyword (fr)
Autodiffusion Constante Henry Dioxyde de carbone Etat fondu Ethylène polymère Etude théorique Gaz acide Hydrogène Sulfure Modèle moléculaire Modélisation Méthode Monte Carlo Méthode dynamique moléculaire Perméabilité gaz Phénomène transport Propriété physicochimique Propriété transport Solubilité
Keyword (en)
Self diffusion Henry constant Carbon dioxide Molten state Polyethylene Theoretical study Sour gas Hydrogen Sulfides Molecular model Modeling Monte Carlo method Molecular dynamics method Gas permeability Transport process Physicochemical properties Transport properties Solubility
Keyword (es)
Autodifusión Constante Henry Carbono dióxido Estado fundido Etileno polímero Estudio teórico Gas ácido Hidrógeno Sulfuro Modelo molecular Modelización Método Monte Carlo Método dinámico molecular Permeabilidad gas Fenómeno transporte Propiedad fisicoquímica Propiedad transporte Solubilidad
001 Exact sciences and technology / 001D Applied sciences / 001D10 Polymer industry, paints, wood / 001D10A Technology of polymers / 001D10A06 Forms of application and semi-finished materials / 001D10A06J Exchange resins and membranes

Polymer industry, paints, wood
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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