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Molecular Simulation Volume 40, 2014 - Issue 12
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Molecular dynamics simulation of O2 diffusion in polydimethylsiloxane (PDMS) and end-linked PDMS networks

Varun UllalDepartment of Mechanical Engineering, University of Arkansas, Fayetteville, AR72701, USA
&
Douglas E. SpearotDepartment of Mechanical Engineering, University of Arkansas, Fayetteville, AR72701, USA;Institute for Nanoscale Materials Science and Engineering, University of Arkansas, Fayetteville, AR72701, USACorrespondence[email protected]
Pages 976-986 | Received 19 Apr 2013, Accepted 25 Jul 2013, Published online: 05 Sep 2013

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Hao Huang, Fenglei Cao, Liang Wu & Huai Sun. (2017) All-atom and coarse-grained force fields for polydimethylsiloxane. Molecular Simulation 43:18, pages 1513-1522.
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Hassan Ebadi-Dehaghani. (2016) Diffusion of 1,2,3-Benzotriazole as a Volatile Corrosion Inhibitor through Common Polymer Films Using the Molecular Dynamics Simulation Method. Journal of Macromolecular Science, Part B 55:3, pages 310-318.
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Articles from other publishers (11)

Tianyi Chen, Tzu-Yi Chang, Brooke A. Konstanczer, Matin A. Mostaan & Camille J. Palmer. (2023) Review of qualification and modeling for radiation-induced polymer degradation. Frontiers in Nuclear Engineering 2.
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Q. Tang, S. Qian, S. Zhou, Z. Ni & D. Bian. (2022) Study on characterization methods of the deformation properties of soft material polydimethylsiloxane using the indentation test. Materialwissenschaft und Werkstofftechnik 53:11, pages 1357-1372.
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Jasmine C. Lightfoot, Antoine Buchard, Bernardo Castro-Dominguez & Stephen C. Parker. (2021) Comparative Study of Oxygen Diffusion in Polyethylene Terephthalate and Polyethylene Furanoate Using Molecular Modeling: Computational Insights into the Mechanism for Gas Transport in Bulk Polymer Systems. Macromolecules 55:2, pages 498-510.
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Seyed Mohammad Mahdi Zamani & Kamran Behdinan. (2020) A molecular dynamics study of the mechanical and electrical properties of Polydimethylsiloxane-Ni conductive nanocomposites. Composites Science and Technology 200, pages 108463.
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Alexandra Bargan, Maria Cazacu, Mihaela Dascalu, Ana-Maria Macsim, Alina Soroceanu & Ioan Florin Macsim. (2020) Synthesis, structural characterization and properties evaluation of two new zwitterionic siloxane compounds. Polyhedron 179, pages 114356.
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Alina M. Lampic, Donald Mackay & J. Mark Parnis. (2019) QSPRs for Molecular Diffusion Coefficients in Polymeric Passive Samplers: A Comparison of Simple Molecular and Quantum‐mechanical Sigma‐moment Descriptors. Molecular Informatics 38:8-9, pages 1800110.
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Kai Fan, Kailin Pan, Siming Gong, Wenhui Wang, Hao Cheng & Chen Guo. (2018) Study of the interaction energy at the composite interface between PDMS and functionalized Graphene using molecular dynamics simulations. Study of the interaction energy at the composite interface between PDMS and functionalized Graphene using molecular dynamics simulations.
Wenjia Wang, Kailin Pan, Tingting Li, Xufeng Han, Weiwu Cao, Siming Gong, Wenhui Wang & Kai Fan. (2017) Delamination behavior of an end-linked PDMS/copper interface: A molecular dynamics study. Delamination behavior of an end-linked PDMS/copper interface: A molecular dynamics study.
Joel R. Fried, Timothy Dubbs & Morteza Azizi. 2017. Membrane Materials for Gas and Vapor Separation. Membrane Materials for Gas and Vapor Separation 307 333 .
Mark J. Varady, Thomas P. Pearl, Shawn M. Stevenson & Brent A. Mantooth. (2016) Decontamination of VX from Silicone: Characterization of Multicomponent Diffusion Effects. Industrial & Engineering Chemistry Research 55:11, pages 3139-3149.
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Sanaz Ebrahimi, Hassan Ebadi-Dehaghani, Majid Kolahdozan & Elham Ameri. (2022) Selective Co2/Ch4 Separation by Nanocomposite Membranes Based Poly Ether Block Amide / Polyvinyl Alcohol and Nano Mgo: Design of Experiments and Molecular Dynamics Simulation Study. SSRN Electronic Journal.
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