FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1966777509> ?p ?o ?g. }

• W1966777509 endingPage "2808" @default.
• W1966777509 startingPage "2803" @default.
• W1966777509 abstract "We performed a systematic study to show that the nicely folded lamellar structure of polyethylene chains derived from previous molecular simulations is a consequence of the use of the united atom model, which treats the CH2 groups as a hard sphere. Simulations presented here with explicit hydrogen atoms show that the fold is not uniform, and that regularly aligned stems do not result. While it is known that polyethylene crystallizes with chain folded morphology, the irregular folding seen here is due to the neglect of the interactions between the hydrogen atoms attached to a carbon atom Ci and the atom Ci+2 in the united atom model. We present this paper to point out how the choice of force fields is important for polymers with a high degree of crystallinity. We hope that this paper stimulates further work on developing united atom models that take into account terms that we show to dictate the polymer conformations, such as the interactions between atoms attached to carbon atom Ci and the atom Ci+2 in polyethylene." @default.
• W1966777509 created "2016-06-24" @default.
• W1966777509 creator A5034440239 @default.
• W1966777509 creator A5049222250 @default.
• W1966777509 creator A5058757443 @default.
• W1966777509 date "2010-06-01" @default.
• W1966777509 modified "2023-09-23" @default.
• W1966777509 title "Simulation of chain folding in polyethylene: A comparison of united atom and explicit hydrogen atom models" @default.
• W1966777509 cites W1981562298 @default.
• W1966777509 cites W1981891518 @default.
• W1966777509 cites W1982431948 @default.
• W1966777509 cites W1982537707 @default.
• W1966777509 cites W1993224484 @default.
• W1966777509 cites W1995048986 @default.
• W1966777509 cites W2003265865 @default.
• W1966777509 cites W2013434112 @default.
• W1966777509 cites W2013531388 @default.
• W1966777509 cites W2019321457 @default.
• W1966777509 cites W2021969445 @default.
• W1966777509 cites W2026137371 @default.
• W1966777509 cites W2035349664 @default.
• W1966777509 cites W2037192535 @default.
• W1966777509 cites W2037612125 @default.
• W1966777509 cites W2057514153 @default.
• W1966777509 cites W2058416572 @default.
• W1966777509 cites W2060552247 @default.
• W1966777509 cites W2068074603 @default.
• W1966777509 cites W2069504790 @default.
• W1966777509 cites W2069814651 @default.
• W1966777509 cites W2072416588 @default.
• W1966777509 cites W2077146815 @default.
• W1966777509 cites W2082839672 @default.
• W1966777509 cites W2085822586 @default.
• W1966777509 cites W2089612694 @default.
• W1966777509 cites W2089693862 @default.
• W1966777509 cites W2090349344 @default.
• W1966777509 cites W2090677671 @default.
• W1966777509 cites W2090791368 @default.
• W1966777509 cites W2091654157 @default.
• W1966777509 cites W2132231143 @default.
• W1966777509 cites W2320364935 @default.
• W1966777509 cites W2328540233 @default.
• W1966777509 cites W2462325831 @default.
• W1966777509 cites W2593707735 @default.
• W1966777509 cites W4231248551 @default.
• W1966777509 doi "https://doi.org/10.1016/j.polymer.2010.04.049" @default.
• W1966777509 hasPublicationYear "2010" @default.
• W1966777509 type Work @default.
• W1966777509 sameAs 1966777509 @default.
• W1966777509 citedByCount "24" @default.
• W1966777509 countsByYear W19667775092012 @default.
• W1966777509 countsByYear W19667775092014 @default.
• W1966777509 countsByYear W19667775092015 @default.
• W1966777509 countsByYear W19667775092016 @default.
• W1966777509 countsByYear W19667775092017 @default.
• W1966777509 countsByYear W19667775092018 @default.
• W1966777509 countsByYear W19667775092019 @default.
• W1966777509 countsByYear W19667775092021 @default.
• W1966777509 countsByYear W19667775092022 @default.
• W1966777509 countsByYear W19667775092023 @default.
• W1966777509 crossrefType "journal-article" @default.
• W1966777509 hasAuthorship W1966777509A5034440239 @default.
• W1966777509 hasAuthorship W1966777509A5049222250 @default.
• W1966777509 hasAuthorship W1966777509A5058757443 @default.
• W1966777509 hasConcept C119599485 @default.
• W1966777509 hasConcept C127413603 @default.
• W1966777509 hasConcept C149635348 @default.
• W1966777509 hasConcept C159467904 @default.
• W1966777509 hasConcept C159985019 @default.
• W1966777509 hasConcept C178790620 @default.
• W1966777509 hasConcept C185592680 @default.
• W1966777509 hasConcept C192562407 @default.
• W1966777509 hasConcept C2776545253 @default.
• W1966777509 hasConcept C2776640939 @default.
• W1966777509 hasConcept C2779751980 @default.
• W1966777509 hasConcept C2781311116 @default.
• W1966777509 hasConcept C41008148 @default.
• W1966777509 hasConcept C46275449 @default.
• W1966777509 hasConcept C521977710 @default.
• W1966777509 hasConcept C58312451 @default.
• W1966777509 hasConcept C77851909 @default.
• W1966777509 hasConcept C8010536 @default.
• W1966777509 hasConceptScore W1966777509C119599485 @default.
• W1966777509 hasConceptScore W1966777509C127413603 @default.
• W1966777509 hasConceptScore W1966777509C149635348 @default.
• W1966777509 hasConceptScore W1966777509C159467904 @default.
• W1966777509 hasConceptScore W1966777509C159985019 @default.
• W1966777509 hasConceptScore W1966777509C178790620 @default.
• W1966777509 hasConceptScore W1966777509C185592680 @default.
• W1966777509 hasConceptScore W1966777509C192562407 @default.
• W1966777509 hasConceptScore W1966777509C2776545253 @default.
• W1966777509 hasConceptScore W1966777509C2776640939 @default.
• W1966777509 hasConceptScore W1966777509C2779751980 @default.
• W1966777509 hasConceptScore W1966777509C2781311116 @default.
• W1966777509 hasConceptScore W1966777509C41008148 @default.
• W1966777509 hasConceptScore W1966777509C46275449 @default.
• W1966777509 hasConceptScore W1966777509C521977710 @default.
• W1966777509 hasConceptScore W1966777509C58312451 @default.

• next