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https://hdl.handle.net/1959.11/29125
Title: | Molecular Dynamics Study of Hydrophilic Monomers in Aqueous Solution | Contributor(s): | Smith, E J (author) ; Fellows, C M (author) | Publication Date: | 2017-07-26 | Handle Link: | https://hdl.handle.net/1959.11/29125 | Abstract: | The application of pulsed-laser polymerization size-exclusion chromatography (PLPSEC) has made it possible to unambiguously determine propagation rate coefficients (kp) in radical polymerization in a single experiment. Accurate Arrhenius parameters are now available for a wide range of monomers, where previously great uncertainty prevailed even for very common commodity monomers. While propagation rate coefficients are largely insensitive to solvent effects and to monomer concentration, water is a significant exception for many monomers. The currently accepted model attributes changes in kp to a decrease in the Arrhenius pre-exponential factor when water is replaced with monomer in the environment of the transition state, reducing degrees of rotational freedom, but this is problematic in terms of statistical thermodynamics. | Publication Type: | Conference Publication | Conference Details: | RACI Congress 2017: 2017 Royal Australian Chemical Institute National Centenary Congress, Melbourne, Australia, 23rd - 28th July, 2017 | Source of Publication: | Royal Australian Chemical Institute National Centenary Congress 2017, p. 1-1 | Publisher: | Royal Australian Chemical Institute | Place of Publication: | Melbourne, Australia | Fields of Research (FoR) 2008: | 030305 Polymerisation Mechanisms 030799 Theoretical and Computational Chemistry not elsewhere classified |
Fields of Research (FoR) 2020: | 340306 Polymerisation mechanisms 340799 Theoretical and computational chemistry not elsewhere classified |
Socio-Economic Objective (SEO) 2008: | 860699 Industrial Chemicals and Related Products not elsewhere classified | Socio-Economic Objective (SEO) 2020: | 240901 Antimicrobials, antifungals and biocides | HERDC Category Description: | E3 Extract of Scholarly Conference Publication | Publisher/associated links: | https://www.raci.org.au/ https://www.chemistryviews.org/details/event/7191411/RACI_2017_Centenary_Congress.html |
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Appears in Collections: | Conference Publication School of Science and Technology |
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