Kirkwood-Buff Integrals Using Molecular Simulation: Estimation of Surface Effects
Kirkwood-Buff (KB) integrals provide a connection between microscopic properties and thermodynamic properties of multicomponent fluids. The estimation of KB integrals using molecular simulations of finite systems requires accounting for finite size effects. In the small system method, properties of...
| Główni autorzy: | , , , , , , |
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| Format: | Artykuł |
| Język: | English |
| Wydane: |
MDPI AG
2020-04-01
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| Seria: | Nanomaterials |
| Hasła przedmiotowe: | |
| Dostęp online: | https://www.mdpi.com/2079-4991/10/4/771 |