Výsledky vyhledávání - "Panagiotis G. Mermigkis"

Akademický článek

Geometric Analysis of Free and Accessible Volume in Atmospheric Nanoparticles

Autor: Panagiotis G. Mermigkis, Katerina S. Karadima, Spyros N. Pandis, Vlasis G. Mavrantzas

Publikováno v: ACS Omega, Vol 8, Iss 37, Pp 33481-33492 (2023)

Externí odkaz: https://doaj.org/article/eed789cdbebd4d658b59e2b3b567f524

Geometric Analysis of Clusters of Free Volume Accessible to Small Penetrants and Their Connectivity in Polymer Nanocomposites Containing Carbon Nanotubes

Autor: Panagiotis G. Mermigkis, Vlasis G. Mavrantzas

Publikováno v: Macromolecules. 53:9563-9583

Delaunay tessellation followed by Monte Carlo integration is employed in order to determine the clusters of sites where a hard-sphere penetrant of radius rp equal to a few Angstroms can reside in m...

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::89f71cff2227ae043d4da67a0f9872a2
https://doi.org/10.1021/acs.macromol.0c00228

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On the phase state of aerosol nanoparticles from a detailed geometric analysis of their free volume accessible to small penetrants

Autor: Panagiotis G. Mermigkis, Katerina S. Karadima, Vlasis G. Mavrantzas, Spyros N. Pandis

Using Delaunay tessellation followed by Monte Carlo integration, we geometrically analyze atomistically-detailed model structures of aerosol nanoparticles to connect their free volume to their phase state. Nanoparticles investigated consist of water,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ec800c79cb5af789f82b5e8bb2738164
https://doi.org/10.5194/egusphere-egu22-13250

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Molecular Dynamics Study of an Atactic Poly(methyl methacrylate)-Carbon Nanotube Nanocomposite

Autor: Emmanuel N. Skountzos, Panagiotis G. Mermigkis, Vlasis G. Mavrantzas

Publikováno v: The journal of physical chemistry. B. 122(38)

Molecular dynamics (MD) is used to simulate a model atactic poly(methyl methacrylate) (PMMA) system in which carbon nanotubes (CNTs) have been randomly dispersed. Our purpose is to elucidate the equilibrium structure and dynamic behavior of PMMA chai

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::742efb031940609e477a9660cb2a3e23
https://pubmed.ncbi.nlm.nih.gov/30169039

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Determination of the effective diffusivity of water in a poly (methyl methacrylate) membrane containing carbon nanotubes using kinetic Monte Carlo simulations

Autor: Dimitrios G. Tsalikis, Vlasis G. Mavrantzas, Panagiotis G. Mermigkis

Publikováno v: The Journal of chemical physics. 143(16)

A kinetic Monte Carlo (kMC) simulation algorithm is developed for computing the effective diffusivity of water molecules in a poly(methyl methacrylate) (PMMA) matrix containing carbon nanotubes (CNTs) at several loadings. The simulations are conducte

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16be83efa1d2331cf8651fb2d14f5a22
https://pubmed.ncbi.nlm.nih.gov/26520550

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