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1

Molecular Dynamics Simulation Study of Water in Amorphous Kapton

Marque, Grégory, Neyertz, Sylvie, Verdu, Jacques, Prunier, Valéry, Brown, David

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 773 KB

english, 2008

2

Tutorial: Molecular Dynamics Simulations of Microstructure and Transport Phenomena in Glassy Polymers

Neyertz, Sylvie

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 1.61 MB

english, 2007

3

A general pressure tensor calculation for molecular dynamics simulations

Brown, David, Neyertz, Sylvie

Journal:

Molecular Physics

Année:

1995

Langue:

english

Fichier:

PDF, 1.02 MB

english, 1995

4

Molecular Dynamics Simulations of Helium Permeation in Polyimides with a Bulky Dianhydride and a Fluorinated Diamine

Journal:

Macromolecular Theory and Simulations

Année:

2007

Langue:

english

Fichier:

PDF, 360 KB

english, 2007

5

Molecular dynamics simulation of the crystalline phase of poly(ethylene oxide)-sodium iodide, PEO3NaI.

Sylvie Neyertz, David Brown, John O. Thomas

Journal:

Electrochimica Acta

Année:

1995

Langue:

english

Fichier:

PDF, 712 KB

english, 1995

6

Phase separation upon heating in model PEOx NaI polymer electrolytes

Sylvie Neyertz, David Brown

Journal:

Electrochimica Acta

Année:

1998

Langue:

english

Fichier:

PDF, 234 KB

english, 1998

7

Influence du solvant de mise en œuvre sur la microstructure et les propriétés perméamétriques de membranes denses copolyimides

Éliette Pinel, Régis Mercier, José G Sanchez-Marcano, Sylvie Neyertz, Nicole D Alberola, Corine Bas

Journal:

Comptes Rendus Chimie

Année:

2003

Langue:

french

Fichier:

PDF, 131 KB

french, 2003

8

Copolyimides containing alicyclic and fluorinated groups: Characterization of the film microstructure

Eliette Pinel, Marie-France Barthe, Jérémie De Baerdemaeker, Régis Mercier, Sylvie Neyertz, N. Dominique Albérola, Corine Bas

Journal:

Journal of Polymer Science Part B: Polymer Physics

Année:

2003

Langue:

english

Fichier:

PDF, 178 KB

english, 2003

9

Copolyimides containing alicyclic and fluorinated groups: Solubility and gas separation properties

Corine Bas, Régis Mercier, José Sanchez-Marcano, Sylvie Neyertz, N. Dominique Albérola, Eliette Pinel

Journal:

Journal of Polymer Science Part B: Polymer Physics

Année:

2005

Langue:

english

Fichier:

PDF, 383 KB

english, 2005

10

A molecular dynamics simulation study of surface effects on gas permeation in free-standing polyimide membranes

Sylvie Neyertz, Anthony Douanne, David Brown

Journal:

Journal of Membrane Science

Année:

2006

Langue:

english

Fichier:

PDF, 728 KB

english, 2006

11

Copolyimides with trifluoromethyl or methoxy substituents. NMR characterization

Eliette Pinel, Corine Bas, Sylvie Neyertz, N.Dominique Albérola, Roger Petiaud, Regis Mercier

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 195 KB

english, 2002

12

Molecular Dynamics Study of Carbon Dioxide Sorption and Plasticization at the Interface of a Glassy Polymer Membrane

Neyertz, Sylvie, Brown, David

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 4.52 MB

english, 2013

13

Preparation of bulk melt chain configurations of polycyclic polymers

Neyertz, Sylvie, Brown, David

Journal:

The Journal of Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 439 KB

english, 2001

14

Molecular Dynamics Simulations of Oxygen Transport through a Fully Atomistic Polyimide Membrane

Neyertz, Sylvie, Brown, David

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 913 KB

english, 2008

15

A computer simulation study of the chain configurations in poly(ethylene oxide)-homolog melts

Neyertz, Sylvie, Brown, David

Journal:

The Journal of Chemical Physics

Année:

1995

Langue:

english

Fichier:

PDF, 572 KB

english, 1995

16

Carbon Dioxide Solubility in Three Fluorinated Polyimides Studied by Molecular Dynamics Simulations

Pandiyan, Sudharsan, Brown, David, Neyertz, Sylvie, van der Vegt, N. F. A.

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2010

17

Contributors to this issue

Neyertz, Sylvie, Brown, David

Journal:

Journal of Medieval History

Année:

1989

Langue:

english

Fichier:

PDF, 69 KB

english, 1989

18

The effect of structural isomerism on carbon dioxide sorption and plasticization at the interface of a glassy polymer membrane

Neyertz, Sylvie, Brown, David

Journal:

Journal of Membrane Science

Année:

2014

Langue:

english

Fichier:

PDF, 5.80 MB

english, 2014

19

Molecular Modelling of Chemical Sensors Based on Silica Surfaces

Khanniche, Sarah, Neyertz, Sylvie, Brown, David, Mathieu, Didier

Journal:

Procedia Engineering

Année:

2012

Langue:

english

Fichier:

PDF, 1.34 MB

english, 2012

20

Preparing Relaxed Systems of Amorphous Polymers by Multiscale Simulation: Application to Cellulose

Queyroy, Séverine, Neyertz, Sylvie, Brown, David, Müller-Plathe, Florian

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 256 KB

english, 2004

21

Influence of System Size in Molecular Dynamics Simulations of Gas Permeation in Glassy Polymers

Neyertz, Sylvie, Brown, David

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 312 KB

english, 2004

22

Interface between End-Functionalized PEO Oligomers and a Silica Nanoparticle Studied by Molecular Dynamics Simulations

Barbier, Delphine, Brown, David, Grillet, Anne-Cécile, Neyertz, Sylvie

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 433 KB

english, 2004

23

Effect of Interfacial Structure on Permeation Properties of Glassy Polymers

Neyertz, Sylvie, Douanne, Anthony, Brown, David

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 522 KB

english, 2005

24

Oxygen Sorption in Glassy Polymers Studied at the Molecular Level

Neyertz, Sylvie, Brown, David

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 5.49 MB

english, 2009

25

Local structure and mobility of ions in polymer electrolytes: A molecular dynamics simulation study of the amorphous PEOxNaI system

Neyertz, Sylvie, Brown, David

Journal:

The Journal of Chemical Physics

Année:

1996

Langue:

english

Fichier:

PDF, 563 KB

english, 1996

26

Molecular dynamics simulation of crystalline poly(ethylene oxide)

Neyertz, Sylvie, Brown, David, Thomas, John O.

Journal:

The Journal of Chemical Physics

Année:

1994

Langue:

english

Fichier:

PDF, 1.04 MB

english, 1994

27

The local energy approximation and the predictability of chain configurations in polymer melts

Neyertz, Sylvie, Brown, David, Clarke, Julian H. R.

Journal:

The Journal of Chemical Physics

Année:

1996

Langue:

english

Fichier:

PDF, 451 KB

english, 1996

28

Prediction of the Crystalline Structure of a Novel Polythiophene Using Molecular Dynamics Simulations

Vouyovitch, Laetitia, Brown, David, Neyertz, Sylvie, Gallot, Bernard

Journal:

Année:

2002

Langue:

english

Fichier:

PDF, 646 KB

english, 2002

29

The Stability of Amino-Functionalized Polyhedral Oligomeric Silsesquioxanes in Water

Neyertz, Sylvie, Brown, David, Pilz, Monika, Rival, Nicolas, Arstad, Bjørnar, Männle, Ferdinand, Simon, Christian

Journal:

Journal of Physical Chemistry B

Année:

2015

Langue:

english

Fichier:

PDF, 4.41 MB

english, 2015

30

A molecular characterization of hyper-cross-linked hybrid polyPOSS-imide networks

Neyertz, Sylvie, Brown, David, Raaijmakers, Michiel J.T., Benes, Nieck E.

Journal:

Computational Materials Science

Année:

2016

Langue:

english

Fichier:

PDF, 4.99 MB

english, 2016

31

Nanosecond-Time-Scale Reversibility of Dilation Induced by Carbon Dioxide Sorption in Glassy Polymer Membranes

NEYERTZ, Sylvie, BROWN, David

Journal:

Journal of Membrane Science

Année:

2016

Langue:

english

Fichier:

PDF, 2.10 MB

english, 2016

32

The Influence of the Dianhydride Precursor in Hyper-Cross-Linked Hybrid PolyPOSS-imide Networks

Neyertz, Sylvie, Brown, David, Raaijmakers, Michiel J.T., Benes, Nieck

Journal:

Physical Chemistry Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 8.25 MB

english, 2016

33

A comparison of pure and mixed-gas permeation of nitrogen and methane in 6FDA-based polyimides as studied by molecular dynamics simulations

Tanis, Ioannis, Brown, David, Neyertz, Sylvie, Heck, Romain, Mercier, Régis, Vaidya, Milind, Ballaguet, Jean-Pierre

Journal:

Computational Materials Science

Année:

2018

Langue:

english

Fichier:

PDF, 1.94 MB

english, 2018

34

Erratum: A computer simulation study of the chain configurations in poly(ethylene oxide)‐homolog melts [J. Chem. Phys. 102 , 9725 (1995)]

Neyertz, Sylvie, Brown, David

Journal:

The Journal of Chemical Physics

Année:

1996

Langue:

english

Fichier:

PDF, 256 KB

english, 1996

35

Air Sorption and Separation by Polymer Films at the Molecular Level

Neyertz, Sylvie, Brown, David

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 4.20 MB

english, 2018

36

Sorption and permeation of gases in hyper-cross-linked hybrid poly(POSS-imide) networks: An in silico study

Brown, David, Neyertz, Sylvie, Raaijmakers, Michiel J.T., Benes, Nieck E.

Journal:

Journal of Membrane Science

Année:

2019

Langue:

english

Fichier:

PDF, 2.91 MB

english, 2019

37

An optimized fully-atomistic procedure to generate glassy polymer films for molecular dynamics simulations

Neyertz, Sylvie, Brown, David

Journal:

Computational Materials Science

Année:

2020

Fichier:

PDF, 5.81 MB

2020

38

Single- and mixed-gas sorption in large-scale molecular models of glassy bulk polymers. Competitive sorption of a binary CH4/N2 and a ternary CH4/N2/CO2 mixture in a polyimide membrane

Neyertz, Sylvie, Brown, David

Journal:

Journal of Membrane Science

Année:

2020

Fichier:

PDF, 4.17 MB

2020