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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 103, 2005 - Issue 19
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Original Articles

The compression of polymer brushes under shear: the friction coefficient as a function of compression, shear rate and the properties of the solvent

F. Goujon Laboratoire de Thermodynamique des Solutions et des Polymères, UMR CNRS 6003, Université Blaise Pascal, 24 avenue des Landais, 63177 Aubière Cedex, France
,
P. Malfreyt * Laboratoire de Thermodynamique des Solutions et des Polymères, UMR CNRS 6003, Université Blaise Pascal, 24 avenue des Landais, 63177 Aubière Cedex, France
&
D. J. Tildesley Unilever Research Port Sunlight, Bebington, Wirral, UK CH63 3JW
Pages 2675-2285 | Received 03 Mar 2005, Accepted 14 Apr 2005, Published online: 07 Apr 2006

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Elnaz Zohravi, Ebrahim Shirani & Ahmadreza Pishevar. (2018) Influence of the conservative force on transport coefficients in the DPD method. Molecular Simulation 44:3, pages 254-261.
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Mark R. Wilson. (2005) Progress in computer simulations of liquid crystals. International Reviews in Physical Chemistry 24:3-4, pages 421-455.
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Articles from other publishers (41)

Yijing Tang, Yonglan Liu, Dong Zhang & Jie Zheng. (2023) Perspectives on Theoretical Models and Molecular Simulations of Polymer Brushes. Langmuir 40:2, pages 1487-1502.
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Yuanyuan Wang, Suyue Zhong, Zhenhua Niu, Yangyang Dai & Jian Li. (2023) Synthesis and up-to-date applications of 2D microporous g-C 3 N 4 nanomaterials for sustainable development . Chemical Communications 59:73, pages 10883-10911.
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Mohamed A. Abdelbar, James P. Ewen, Daniele Dini & Stefano Angioletti-Uberti. (2023) Polymer brushes for friction control: Contributions of molecular simulations. Biointerphases 18:1.
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R. L. Nkepsu Mbitou, F. Goujon, A. Dequidt, B. Latour, J. Devémy, R. Blaak, N. Martzel, C. Emeriau-Viard, J. Tchoufag, S. Garruchet, E. Munch, P. Hauret & P. Malfreyt. (2022) Consistent and Transferable Force Fields for Statistical Copolymer Systems at the Mesoscale. Journal of Chemical Theory and Computation 18:11, pages 6940-6951.
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Yaoyao Jiang, Xu Dong, Qi Wang, Shengping Dai, Lvzhou Li, Ningyi Yuan & Jianning Ding. (2022) A High-Fidelity Preparation Method for Liquid Crystal Elastomer Actuators. Langmuir 38:23, pages 7190-7197.
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José G. Solano Canchaya, Germain Clavier, Sébastien Garruchet, Benoit Latour, Nicolas Martzel, Julien Devémy, Florent Goujon, Alain Dequidt, Ronald Blaak, Etienne Munch & Patrice Malfreyt. (2021) Rheological properties of polymer chains at a copper oxide surface: Impact of the chain length, surface coverage, and grafted polymer shape. Physical Review E 104:2.
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Mohammed Majdoub, Zakaria Anfar & Abdallah Amedlous. (2020) Emerging Chemical Functionalization of g-C 3 N 4 : Covalent/Noncovalent Modifications and Applications . ACS Nano 14:10, pages 12390-12469.
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Qian Cao, Baris Kumru, Markus Antonietti & Bernhard V. K. J. Schmidt. (2019) Grafting Polymers onto Carbon Nitride via Visible-Light-Induced Photofunctionalization. Macromolecules 52:13, pages 4989-4996.
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Vinh Phu Nguyen, Phuoc Quang Phi & Seung Tae Choi. (2019) Tribological Behavior of Grafted Nanoparticle on Polymer-Brushed Walls: A Dissipative Particle Dynamics Study. ACS Applied Materials & Interfaces 11:12, pages 11988-11998.
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Kirill Lykov, Yasaman Nematbakhsh, Menglin Shang, Chwee Teck Lim & Igor V. Pivkin. (2017) Probing eukaryotic cell mechanics via mesoscopic simulations. PLOS Computational Biology 13:9, pages e1005726.
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E. Mayoral, J. Klapp & A. Gama Goicochea. (2017) Scaling features of the tribology of polymer brushes of increasing grafting density around the mushroom-to-brush transition. Physical Review E 95:1.
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A. Gama Goicochea, R. López-Esparza, M.A. Balderas Altamirano, E. Rivera-Paz, M.A. Waldo-Mendoza & E. Pérez. (2016) Friction coefficient and viscosity of polymer brushes with and without free polymers as slip agents. Journal of Molecular Liquids 219, pages 368-376.
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T. Kreer. (2016) Polymer-brush lubrication: a review of recent theoretical advances. Soft Matter 12:15, pages 3479-3501.
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Feiwo Zheng, Florent Goujon, Ana C. F. Mendonça, Patrice Malfreyt & Dominic J. Tildesley. (2015) Structure and rheology of star polymers in confined geometries: a mesoscopic simulation study. Soft Matter 11:44, pages 8590-8598.
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Aykut Erbaş & Jarosław Paturej. (2015) Friction between ring polymer brushes. Soft Matter 11:16, pages 3139-3148.
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A. Gama Goicochea, E. Mayoral, J. Klapp & C. Pastorino. (2014) Nanotribology of biopolymer brushes in aqueous solution using dissipative particle dynamics simulations: an application to PEG covered liposomes in a theta solvent. Soft Matter 10:1, pages 166-174.
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Ana C. F. Mendonça, Agílio A. H. Pádua & Patrice Malfreyt. (2013) Nonequilibrium Molecular Simulations of New Ionic Lubricants at Metallic Surfaces: Prediction of the Friction. Journal of Chemical Theory and Computation 9:3, pages 1600-1610.
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Wei-Po Liao, Ian G. Elliott, Roland Faller & Tonya L. Kuhl. (2013) Normal and shear interactions between high grafting density polymer brushes grown by atom transfer radical polymerization. Soft Matter 9:24, pages 5753.
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Florent Goujon, Aziz Ghoufi, Patrice Malfreyt & Dominic J. Tildesley. (2013) The kinetic friction coefficient of neutral and charged polymer brushes. Soft Matter 9:10, pages 2966.
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K. Binder & A. Milchev. (2012) Polymer brushes on flat and curved surfaces: How computer simulations can help to test theories and to interpret experiments. Journal of Polymer Science Part B: Polymer Physics 50:22, pages 1515-1555.
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Yangpeng Ou, Jeffrey B. Sokoloff & Mark J. Stevens. (2012) Comparison of the kinetic friction of planar neutral and polyelectrolyte polymer brushes using molecular dynamics simulations. Physical Review E 85:1.
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Florent Goujon, Aziz Ghoufi, Patrice Malfreyt & Dominic J. Tildesley. (2012) Frictional forces in polyelectrolyte brushes: effects of sliding velocity, solvent quality and salt. Soft Matter 8:17, pages 4635.
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Jaroslav M. Ilnytskyi, Taras Patsahan & Stefan Sokołowski. (2011) Nanostructures in a binary mixture confined in slit-like pores with walls decorated with tethered polymer brushes in the form of stripes: Dissipative particle dynamics study. The Journal of Chemical Physics 134:20.
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Kurt Binder, Torsten Kreer & Andrey Milchev. (2011) Polymer brushes under flow and in other out-of-equilibrium conditions. Soft Matter 7:16, pages 7159.
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Cyrille Ibergay, Patrice Malfreyt & Dominic J. Tildesley. (2011) Interaction between two polyelectrolyte brushes: a mesoscale modelling of the compression. Soft Matter 7:10, pages 4900.
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T. Carlsson, N. Kamerlin, G. A. Arteca & C. Elvingson. (2011) Brownian dynamics of a compressed polymer brush model. Off-equilibrium response as a function of surface coverage and compression rate. Physical Chemistry Chemical Physics 13:35, pages 16084.
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L. Spirin, A. Galuschko, T. Kreer, A. Johner, J. Baschnagel & K. Binder. (2010) Polymer-brush lubrication in the limit of strong compression. The European Physical Journal E 33:4, pages 307-311.
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Igor V. Pivkin, Bruce Caswell & George Em Karniadakisa. 2010. Reviews in Computational Chemistry. Reviews in Computational Chemistry 85 110 .
Peter Virnau, Kurt Binder, Hendrik Heinz, Torsten Kreer & Marcus Müller. 2010. Encyclopedia of Polymer Blends. Encyclopedia of Polymer Blends 1 44 .
Cyrille IbergayPatrice MalfreytDominic J. Tildesley. (2010) Mesoscale Modeling of Polyelectrolyte Brushes with Salt. The Journal of Physical Chemistry B 114:21, pages 7274-7285.
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A. Galuschko, L. Spirin, T. Kreer, A. Johner, C. Pastorino, J. Wittmer & J. Baschnagel. (2010) Frictional Forces between Strongly Compressed, Nonentangled Polymer Brushes: Molecular Dynamics Simulations and Scaling Theory. Langmuir 26:9, pages 6418-6429.
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E. MOEENDARBARY, T. Y. NG & M. ZANGENEH. (2012) DISSIPATIVE PARTICLE DYNAMICS IN SOFT MATTER AND POLYMERIC APPLICATIONS — A REVIEW. International Journal of Applied Mechanics 02:01, pages 161-190.
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Florent Goujon, Patrice Malfreyt & Dominic J. Tildesley. (2010) Interactions between polymer brushes and a polymer solution: mesoscale modelling of the structural and frictional properties. Soft Matter 6:15, pages 3472.
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Cyrille IbergayPatrice MalfreytDominic J. Tildesley. (2009) Electrostatic Interactions in Dissipative Particle Dynamics: Toward a Mesoscale Modeling of the Polyelectrolyte Brushes. Journal of Chemical Theory and Computation 5:12, pages 3245-3259.
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O. A. Guskova, S. Pal & C. Seidel. (2009) Organization of nanoparticles at the polymer brush-solvent interface. EPL (Europhysics Letters) 88:3, pages 38006.
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Florent Goujon, Patrice Malfreyt & Dominic J. Tildesley. (2009) Mesoscopic Simulation of Entangled Polymer Brushes under Shear: Compression and Rheological Properties. Macromolecules 42:12, pages 4310-4318.
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Gary W. Slater, Christian Holm, Mykyta V. Chubynsky, Hendrick W. de Haan, Antoine Dubé, Kai Grass, Owen A. Hickey, Christine Kingsburry, David Sean, Tyler N. Shendruk & Lixin Zhan. (2009) Modeling the separation of macromolecules: A review of current computer simulation methods. ELECTROPHORESIS 30:5, pages 792-818.
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Fang Yin, Dmitry Bedrov & Grant D. Smith. (2008) A molecular simulation study of the structure and tribology of polymer brushes: Comparison of behavior in theta and good solvents. European Polymer Journal 44:11, pages 3670-3675.
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Florent Goujon, Patrice Malfreyt & Dominic J. Tildesley. (2008) Mesoscopic simulation of entanglements using dissipative particle dynamics: Application to polymer brushes. The Journal of Chemical Physics 129:3, pages 034902.
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Fang Yin, Dmitry Bedrov, Grant D. Smith & S. Michael KilbeyIIII. (2007) A Langevin dynamics simulation study of the tribology of polymer loop brushes. The Journal of Chemical Physics 127:8.
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C. Ibergay, A. Ghoufi, F. Goujon, P. Ungerer, A. Boutin, B. Rousseau & P. Malfreyt. (2007) Molecular simulations of the -alkane liquid-vapor interface: Interfacial properties and their long range corrections . Physical Review E 75:5.
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