Effects of Size and Porosity on the Hydrophobicity of Hierarchical Nanoparticles
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
Resources
| Name |
Format |
Description |
Link |
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0 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-15630568 |
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0 |
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http://data.europa.eu/88u/dataset/oai-zenodo-org-15630568 |
Tags
- structure-of-water,-computer-simulations-of-porous-materials
- intrusion-extrusion,-hierarchical-porous-material