FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4328130718> ?p ?o ?g. }

• W4328130718 abstract "Porous materials are widely used for applications in gas storage and separation. The diffusive properties of a variety of gases in porous media can be modeled using molecular dynamics simulations that can be computationally demanding depending on the pore geometry, complexity, and amount of gas adsorbed. We explore a dimensionality reduction approach for estimating the self-diffusion coefficient of gases in simple pores using Langevin dynamics, such that the three-dimensional (3D) atomistic interactions that determine the diffusion properties of realistic systems can be reduced to an effective one-dimensional (1D) diffusion problem along the pore axis. We demonstrate the approach by modeling the transport of nitrogen molecules in single-walled carbon nanotubes of different radii, showing that 1D Langevin models can be parametrized with a few single-particle 3D atomistic simulations. The reduced 1D model predicts accurate diffusion coefficients over a broad range of temperatures and gas densities. Our work paves the way for studying the diffusion process of more general porous materials such as zeolites or metal-organics frameworks with effective models of reduced complexity." @default.
• W4328130718 created "2023-03-22" @default.
• W4328130718 creator A5041958729 @default.
• W4328130718 creator A5051726111 @default.
• W4328130718 creator A5072941998 @default.
• W4328130718 creator A5073966695 @default.
• W4328130718 date "2023-03-21" @default.
• W4328130718 modified "2023-09-27" @default.
• W4328130718 title "Model reduction for molecular diffusion in nanoporous media" @default.
• W4328130718 cites W1964466782 @default.
• W4328130718 cites W1964878278 @default.
• W4328130718 cites W1985311446 @default.
• W4328130718 cites W1986490461 @default.
• W4328130718 cites W1997281223 @default.
• W4328130718 cites W2003746438 @default.
• W4328130718 cites W2019465613 @default.
• W4328130718 cites W2029667189 @default.
• W4328130718 cites W2037173971 @default.
• W4328130718 cites W2045711804 @default.
• W4328130718 cites W2048659887 @default.
• W4328130718 cites W2054821964 @default.
• W4328130718 cites W2059312949 @default.
• W4328130718 cites W2089713193 @default.
• W4328130718 cites W2138085558 @default.
• W4328130718 cites W2157825109 @default.
• W4328130718 cites W2169091652 @default.
• W4328130718 cites W2320513108 @default.
• W4328130718 cites W2580300294 @default.
• W4328130718 cites W2810029487 @default.
• W4328130718 cites W2890451163 @default.
• W4328130718 cites W2901850966 @default.
• W4328130718 cites W2978689277 @default.
• W4328130718 cites W3091931466 @default.
• W4328130718 cites W3205578373 @default.
• W4328130718 cites W4200320198 @default.
• W4328130718 doi "https://doi.org/10.1103/physrevmaterials.7.036001" @default.
• W4328130718 hasPublicationYear "2023" @default.
• W4328130718 type Work @default.
• W4328130718 citedByCount "0" @default.
• W4328130718 crossrefType "journal-article" @default.
• W4328130718 hasAuthorship W4328130718A5041958729 @default.
• W4328130718 hasAuthorship W4328130718A5051726111 @default.
• W4328130718 hasAuthorship W4328130718A5072941998 @default.
• W4328130718 hasAuthorship W4328130718A5073966695 @default.
• W4328130718 hasBestOaLocation W43281307182 @default.
• W4328130718 hasConcept C105569014 @default.
• W4328130718 hasConcept C111030470 @default.
• W4328130718 hasConcept C111368507 @default.
• W4328130718 hasConcept C119857082 @default.
• W4328130718 hasConcept C121332964 @default.
• W4328130718 hasConcept C121864883 @default.
• W4328130718 hasConcept C127313418 @default.
• W4328130718 hasConcept C147597530 @default.
• W4328130718 hasConcept C147789679 @default.
• W4328130718 hasConcept C159467904 @default.
• W4328130718 hasConcept C159985019 @default.
• W4328130718 hasConcept C162324750 @default.
• W4328130718 hasConcept C171250308 @default.
• W4328130718 hasConcept C173938606 @default.
• W4328130718 hasConcept C17525397 @default.
• W4328130718 hasConcept C176217482 @default.
• W4328130718 hasConcept C185592680 @default.
• W4328130718 hasConcept C18762648 @default.
• W4328130718 hasConcept C192562407 @default.
• W4328130718 hasConcept C21547014 @default.
• W4328130718 hasConcept C2778517922 @default.
• W4328130718 hasConcept C2780004032 @default.
• W4328130718 hasConcept C41008148 @default.
• W4328130718 hasConcept C48940184 @default.
• W4328130718 hasConcept C513720949 @default.
• W4328130718 hasConcept C57736034 @default.
• W4328130718 hasConcept C59593255 @default.
• W4328130718 hasConcept C6648577 @default.
• W4328130718 hasConcept C69357855 @default.
• W4328130718 hasConcept C97355855 @default.
• W4328130718 hasConceptScore W4328130718C105569014 @default.
• W4328130718 hasConceptScore W4328130718C111030470 @default.
• W4328130718 hasConceptScore W4328130718C111368507 @default.
• W4328130718 hasConceptScore W4328130718C119857082 @default.
• W4328130718 hasConceptScore W4328130718C121332964 @default.
• W4328130718 hasConceptScore W4328130718C121864883 @default.
• W4328130718 hasConceptScore W4328130718C127313418 @default.
• W4328130718 hasConceptScore W4328130718C147597530 @default.
• W4328130718 hasConceptScore W4328130718C147789679 @default.
• W4328130718 hasConceptScore W4328130718C159467904 @default.
• W4328130718 hasConceptScore W4328130718C159985019 @default.
• W4328130718 hasConceptScore W4328130718C162324750 @default.
• W4328130718 hasConceptScore W4328130718C171250308 @default.
• W4328130718 hasConceptScore W4328130718C173938606 @default.
• W4328130718 hasConceptScore W4328130718C17525397 @default.
• W4328130718 hasConceptScore W4328130718C176217482 @default.
• W4328130718 hasConceptScore W4328130718C185592680 @default.
• W4328130718 hasConceptScore W4328130718C18762648 @default.
• W4328130718 hasConceptScore W4328130718C192562407 @default.
• W4328130718 hasConceptScore W4328130718C21547014 @default.
• W4328130718 hasConceptScore W4328130718C2778517922 @default.
• W4328130718 hasConceptScore W4328130718C2780004032 @default.
• W4328130718 hasConceptScore W4328130718C41008148 @default.
• W4328130718 hasConceptScore W4328130718C48940184 @default.
• W4328130718 hasConceptScore W4328130718C513720949 @default.

• next