FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2059344540> ?p ?o ?g. }

• W2059344540 endingPage "7202" @default.
• W2059344540 startingPage "7192" @default.
• W2059344540 abstract "To investigate the failure of the poly(dimethylsiloxane) polymer (PDMS) at high temperatures and pressures and in the presence of various additives, we have expanded the ReaxFF reactive force field to describe carbon−silicon systems. From molecular dynamics (MD) simulations using ReaxFF we find initial thermal decomposition products of PDMS to be CH3 radical and the associated polymer radical, indicating that decomposition and subsequent cross-linking of the polymer is initiated by Si−C bond cleavage, in agreement with experimental observations. Secondary reactions involving these CH3 radicals lead primarily to formation of methane. We studied temperature and pressure dependence of PDMS decomposition by following the rate of production of methane in the ReaxFF MD simulations. We tracked the temperature dependency of the methane production to extract Arrhenius parameters for the failure modes of PDMS. Furthermore, we found that at increased pressures the rate of PDMS decomposition drops considerably, leading to the formation of fewer CH3 radicals and methane molecules. Finally, we studied the influence of various additives on PDMS stability. We found that the addition of water or a SiO2 slab has no direct effect on the short-term stability of PDMS, but addition of reactive species such as ozone leads to significantly lower PDMS decomposition temperature. The addition of nitrogen monoxide does not significantly alter the degradation temperature but does retard the initial production of methane and C2 hydrocarbons until the nitrogen monoxide is depleted. These results, and their good agreement with available experimental data, demonstrate that ReaxFF provides a useful computational tool for studying the chemical stability of polymers." @default.
• W2059344540 created "2016-06-24" @default.
• W2059344540 creator A5035627473 @default.
• W2059344540 creator A5061889960 @default.
• W2059344540 creator A5062309897 @default.
• W2059344540 creator A5077401838 @default.
• W2059344540 creator A5085597926 @default.
• W2059344540 date "2005-04-20" @default.
• W2059344540 modified "2023-10-11" @default.
• W2059344540 title "Simulations on the Thermal Decomposition of a Poly(dimethylsiloxane) Polymer Using the ReaxFF Reactive Force Field" @default.
• W2059344540 cites W1841521208 @default.
• W2059344540 cites W1966993500 @default.
• W2059344540 cites W1971275758 @default.
• W2059344540 cites W1981368803 @default.
• W2059344540 cites W1982897362 @default.
• W2059344540 cites W2001265128 @default.
• W2059344540 cites W2005688071 @default.
• W2059344540 cites W2022374291 @default.
• W2059344540 cites W2023271753 @default.
• W2059344540 cites W2023616054 @default.
• W2059344540 cites W2033990154 @default.
• W2059344540 cites W2034479251 @default.
• W2059344540 cites W2036113194 @default.
• W2059344540 cites W2046488447 @default.
• W2059344540 cites W2046833061 @default.
• W2059344540 cites W2073826357 @default.
• W2059344540 cites W2089768084 @default.
• W2059344540 cites W2094642658 @default.
• W2059344540 cites W2098432400 @default.
• W2059344540 cites W2134771096 @default.
• W2059344540 cites W2143981217 @default.
• W2059344540 cites W2144503549 @default.
• W2059344540 cites W2147415793 @default.
• W2059344540 cites W2151240375 @default.
• W2059344540 cites W2155155530 @default.
• W2059344540 cites W2161902182 @default.
• W2059344540 cites W2164318957 @default.
• W2059344540 cites W3206606417 @default.
• W2059344540 doi "https://doi.org/10.1021/ja050980t" @default.
• W2059344540 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15884961" @default.
• W2059344540 hasPublicationYear "2005" @default.
• W2059344540 type Work @default.
• W2059344540 sameAs 2059344540 @default.
• W2059344540 citedByCount "393" @default.
• W2059344540 countsByYear W20593445402012 @default.
• W2059344540 countsByYear W20593445402013 @default.
• W2059344540 countsByYear W20593445402014 @default.
• W2059344540 countsByYear W20593445402015 @default.
• W2059344540 countsByYear W20593445402016 @default.
• W2059344540 countsByYear W20593445402017 @default.
• W2059344540 countsByYear W20593445402018 @default.
• W2059344540 countsByYear W20593445402019 @default.
• W2059344540 countsByYear W20593445402020 @default.
• W2059344540 countsByYear W20593445402021 @default.
• W2059344540 countsByYear W20593445402022 @default.
• W2059344540 countsByYear W20593445402023 @default.
• W2059344540 crossrefType "journal-article" @default.
• W2059344540 hasAuthorship W2059344540A5035627473 @default.
• W2059344540 hasAuthorship W2059344540A5061889960 @default.
• W2059344540 hasAuthorship W2059344540A5062309897 @default.
• W2059344540 hasAuthorship W2059344540A5077401838 @default.
• W2059344540 hasAuthorship W2059344540A5085597926 @default.
• W2059344540 hasConcept C124681953 @default.
• W2059344540 hasConcept C127413603 @default.
• W2059344540 hasConcept C139066938 @default.
• W2059344540 hasConcept C147597530 @default.
• W2059344540 hasConcept C160434732 @default.
• W2059344540 hasConcept C178790620 @default.
• W2059344540 hasConcept C185592680 @default.
• W2059344540 hasConcept C2776372370 @default.
• W2059344540 hasConcept C2776653683 @default.
• W2059344540 hasConcept C36759035 @default.
• W2059344540 hasConcept C42360764 @default.
• W2059344540 hasConcept C48333953 @default.
• W2059344540 hasConcept C516920438 @default.
• W2059344540 hasConcept C521977710 @default.
• W2059344540 hasConcept C537208039 @default.
• W2059344540 hasConcept C59061564 @default.
• W2059344540 hasConcept C59593255 @default.
• W2059344540 hasConcept C75473681 @default.
• W2059344540 hasConcept C86183883 @default.
• W2059344540 hasConcept C95121573 @default.
• W2059344540 hasConceptScore W2059344540C124681953 @default.
• W2059344540 hasConceptScore W2059344540C127413603 @default.
• W2059344540 hasConceptScore W2059344540C139066938 @default.
• W2059344540 hasConceptScore W2059344540C147597530 @default.
• W2059344540 hasConceptScore W2059344540C160434732 @default.
• W2059344540 hasConceptScore W2059344540C178790620 @default.
• W2059344540 hasConceptScore W2059344540C185592680 @default.
• W2059344540 hasConceptScore W2059344540C2776372370 @default.
• W2059344540 hasConceptScore W2059344540C2776653683 @default.
• W2059344540 hasConceptScore W2059344540C36759035 @default.
• W2059344540 hasConceptScore W2059344540C42360764 @default.
• W2059344540 hasConceptScore W2059344540C48333953 @default.
• W2059344540 hasConceptScore W2059344540C516920438 @default.
• W2059344540 hasConceptScore W2059344540C521977710 @default.
• W2059344540 hasConceptScore W2059344540C537208039 @default.
• W2059344540 hasConceptScore W2059344540C59061564 @default.

• next