Kirkwood–Buff Integrals Using Molecular Simulation: Estimation of Surface Effects

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RESEARCH PRODUCT

Kirkwood–Buff Integrals Using Molecular Simulation: Estimation of Surface Effects

Jean-marc Simon Noura Dawass Othonas A. Moultos Peter Krüger Sondre K. Schnell Ioannis G. Economou Thijs J. H. Vlugt

subject

Surface (mathematics)Physics Work (thermodynamics)Finite volume method 010304 chemical physics Scale (ratio)nanothermodynamics General Chemical Engineering surface effects Extrapolation Inverse 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Article molecular dynamics Kirkwood-Buff integrals lcsh:Chemistry lcsh:QD1-999 0103 physical sciences Thermodynamic limit General Materials Science Statistical physics 0210 nano-technology Scaling

description

Kirkwood&ndash

year	journal	country	edition	language
2020-04-16	Nanomaterials

10.3390/nano10040771 https://www.mdpi.com/2079-4991/10/4/771

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