FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4383302204> ?p ?o ?g. }

• W4383302204 abstract "The diffusion of small molecular penetrants through polymeric materials represents an important fundamental problem, relevant to the design of materials for applications such as coatings and membranes. Polymer networks hold promise in these applications, because dramatic differences in molecular diffusion can result from subtle changes in the network structure. In this paper, we use molecular simulation to understand the role that crosslinked network polymers have in governing the molecular motion of penetrants. By considering the local, activated alpha relaxation time of the penetrant and its long-time diffusive dynamics, we can determine the relative importance of activated glassy dynamics on penetrants at the segmental scale versus entropic mesh confinement on penetrant diffusion. We vary several parameters, such as the crosslinking density, temperature, and penetrant size, to show that crosslinks primarily affect molecular diffusion through modification of the matrix glass transition, with local penetrant hopping at least partially coupled to the segmental relaxation of the polymer network. This coupling is very sensitive to the local activated segmental dynamics of the surrounding matrix, and we also show that penetrant transport is affected by dynamic heterogeneity at low temperatures. To contrast, only at high temperatures and for large penetrants or when the dynamic heterogeneity effect is weak does the effect of mesh confinement become significant, even though penetrant diffusion more broadly empirically follows similar trends as established models of mesh confinement-based transport." @default.
• W4383302204 created "2023-07-07" @default.
• W4383302204 creator A5027918274 @default.
• W4383302204 creator A5045572539 @default.
• W4383302204 creator A5056365326 @default.
• W4383302204 creator A5076637481 @default.
• W4383302204 date "2023-07-06" @default.
• W4383302204 modified "2023-09-24" @default.
• W4383302204 title "Simulation study of the effects of polymer network dynamics and mesh confinement on the diffusion and structural relaxation of penetrants" @default.
• W4383302204 cites W1964566995 @default.
• W4383302204 cites W1965234283 @default.
• W4383302204 cites W1968953336 @default.
• W4383302204 cites W1971782949 @default.
• W4383302204 cites W1973263220 @default.
• W4383302204 cites W1991433304 @default.
• W4383302204 cites W1991794210 @default.
• W4383302204 cites W1998429819 @default.
• W4383302204 cites W2004369921 @default.
• W4383302204 cites W2008502452 @default.
• W4383302204 cites W2011110408 @default.
• W4383302204 cites W2017196167 @default.
• W4383302204 cites W2019465613 @default.
• W4383302204 cites W2025729684 @default.
• W4383302204 cites W2032747110 @default.
• W4383302204 cites W2033986789 @default.
• W4383302204 cites W2041902442 @default.
• W4383302204 cites W2043303476 @default.
• W4383302204 cites W2043492526 @default.
• W4383302204 cites W2047529578 @default.
• W4383302204 cites W2053400299 @default.
• W4383302204 cites W2056186831 @default.
• W4383302204 cites W2056293512 @default.
• W4383302204 cites W2056777003 @default.
• W4383302204 cites W2056855313 @default.
• W4383302204 cites W2076902316 @default.
• W4383302204 cites W2077078370 @default.
• W4383302204 cites W2094132409 @default.
• W4383302204 cites W2094911312 @default.
• W4383302204 cites W2096588826 @default.
• W4383302204 cites W2113564335 @default.
• W4383302204 cites W2136412990 @default.
• W4383302204 cites W2170797104 @default.
• W4383302204 cites W2170804474 @default.
• W4383302204 cites W2191761790 @default.
• W4383302204 cites W2317770467 @default.
• W4383302204 cites W2333824488 @default.
• W4383302204 cites W2339540635 @default.
• W4383302204 cites W2413207061 @default.
• W4383302204 cites W2539107597 @default.
• W4383302204 cites W2564812377 @default.
• W4383302204 cites W2601252332 @default.
• W4383302204 cites W2614205478 @default.
• W4383302204 cites W2737439951 @default.
• W4383302204 cites W2740655897 @default.
• W4383302204 cites W2764184599 @default.
• W4383302204 cites W2766895600 @default.
• W4383302204 cites W2768636865 @default.
• W4383302204 cites W2802587233 @default.
• W4383302204 cites W2807239554 @default.
• W4383302204 cites W2911555252 @default.
• W4383302204 cites W2941595753 @default.
• W4383302204 cites W2951700689 @default.
• W4383302204 cites W2968443234 @default.
• W4383302204 cites W2982191308 @default.
• W4383302204 cites W2982910529 @default.
• W4383302204 cites W3000470956 @default.
• W4383302204 cites W3013462464 @default.
• W4383302204 cites W3015290515 @default.
• W4383302204 cites W3032851734 @default.
• W4383302204 cites W3036042658 @default.
• W4383302204 cites W3039136197 @default.
• W4383302204 cites W3086009457 @default.
• W4383302204 cites W3096237682 @default.
• W4383302204 cites W3100822334 @default.
• W4383302204 cites W3106444868 @default.
• W4383302204 cites W3106472862 @default.
• W4383302204 cites W3128169527 @default.
• W4383302204 cites W3130637177 @default.
• W4383302204 cites W3149377315 @default.
• W4383302204 cites W3158815784 @default.
• W4383302204 cites W3200323707 @default.
• W4383302204 cites W3216154540 @default.
• W4383302204 cites W4225097802 @default.
• W4383302204 cites W4226481287 @default.
• W4383302204 cites W4229010485 @default.
• W4383302204 cites W4301374067 @default.
• W4383302204 cites W4302004655 @default.
• W4383302204 cites W4318040822 @default.
• W4383302204 cites W4321764974 @default.
• W4383302204 cites W4376131648 @default.
• W4383302204 doi "https://doi.org/10.1063/5.0148247" @default.
• W4383302204 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37409769" @default.
• W4383302204 hasPublicationYear "2023" @default.
• W4383302204 type Work @default.
• W4383302204 citedByCount "0" @default.
• W4383302204 crossrefType "journal-article" @default.
• W4383302204 hasAuthorship W4383302204A5027918274 @default.
• W4383302204 hasAuthorship W4383302204A5045572539 @default.
• W4383302204 hasAuthorship W4383302204A5056365326 @default.
• W4383302204 hasAuthorship W4383302204A5076637481 @default.

• next