المؤلفون: Tom Pace (9027887), Hadi Rahmaninejad (9027884), Bin Sun (210373), Peter M. Kekenes-Huskey (2864567)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Pharmacology, Biotechnology, Evolutionary Biology, Ecology, Inorganic Chemistry, Computational Biology, Chemical Sciences not elsewhere classified, “ microscopic ”, “ macroscopic ”, study therefore demonstrates, enhance diffusion overall, effective diffusion coefficient, determining diffusion coefficients, contributions generally emerge, transport rates include, substrate transport rates, estimating transport properties, phase methane diffusion, molecular dynamics simulations, molecular dynamics approach, methane mass transport, like rates observed, scale ), respectively, scale transport properties, disparate length scales, detailed molecular interactions

Relation: https://figshare.com/articles/journal_contribution/Homogenization_of_Continuum-Scale_Transport_Properties_from_Molecular_Dynamics_Simulations_An_Application_to_Aqueous-Phase_Methane_Diffusion_in_Silicate_Channels/16766515

الاتاحة: https://doi.org/10.1021/acs.jpcb.1c07062.s001