Effects of Size and Porosity on the Hydrophobicity of Hierarchical Nanoparticles

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Dataset information

Catalog

Zenodo catalog

Country of origin

EU institutions

Updated

2025.06.13 00:00

Created

2025.06.11

Available languages

English

Keywords

intrusion-extrusion, hierarchical porous material, structure of water, computer simulations of porous materials

Datasource

Official portal for European data link

Quality scoring

Dataset description

Directories present DL_POLY files for MD simulations of water intrusion/extrusion into/from small and large Menger sponge particles.Names of directories correspond to pressure in MPa. For example, 10d - 10 MPa down (extrusion) CONFIG - starting configurtionREVCON - final configurationFIELD - parameters of the force fieldCONTROL - parameters of the simulationsSTATIS - data containing information about each record step

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2019

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