DOI | Resolve DOI: https://doi.org/10.1016/j.procs.2011.04.109 |
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Author | Search for: Liu, X.1; Search for: Lyubimova, O.1; Search for: Kobryn, A.E.1; Search for: Gusarov, S.1; Search for: Kovalenko, A.1 |
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Affiliation | - National Research Council of Canada. National Institute for Nanotechnology
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Format | Text, Article |
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Conference | 11th International Conference on Computational Science, ICCS 2011, 1 June 2011 through 3 June 2011, Singapore |
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Subject | Coarse grained models; Coarse-grained; Dissipative particle dynamics; Dynamical properties; Gelators; Mesoscopics; Oligomeric electrolyte gelator; Polymer concentrations; Polymer in solution; Radial distribution functions; Radius of gyration; Coagulation; Dichloromethane; Distribution functions; Electrolytes; Gelation; Oligomers; Polymers; Dynamics |
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Abstract | The poly[pyridinium-1,4-diyl-iminocarbonyl-1,4-phenylene-methylene chloride] (1-Cl) is a novel oligomeric electrolyte gelator with notable characteristics and multi-functionalities. In this study, we investigate its structural and dynamical properties by means of the dissipative particle dynamics (DPD). The structural properties of 1-Cl in aqueous solution have been analyzed with the help of the radial distribution functions for the coarse grained model of the polymer and the solvent. Diffusion coefficient and the radius of gyration for the coarse grained polymer in solution have been calculated at various concentrations. We find that both structural and dynamical quantities change significantly when the polymer concentration becomes sufficient to form the gel. © 2011 Published by Elsevier Ltd. |
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Publication date | 2011 |
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In | |
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Language | English |
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Peer reviewed | Yes |
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NPARC number | 21271154 |
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Export citation | Export as RIS |
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Report a correction | Report a correction (opens in a new tab) |
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Record identifier | 102e67b9-0830-4fd4-b40f-8cb04d8bef69 |
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Record created | 2014-03-24 |
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Record modified | 2020-04-21 |
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