Noble Gases
Molecular Comparison of Gases, Liquids, and Solids
Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation
Gas Solubility
Van der Waals Equation
The Van der Waals Equation
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Updated: Apr 1, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Oliver Warr1,2, Chris J Ballentine1,2, Junju Mu3
1School of Earth, Atmospheric and Environmental Sciences, Williamson Building, University of Manchester , Manchester M13 9PL, United Kingdom.
Optimized noble gas-water potentials improve simulations by adjusting interaction parameters. This leads to accurate Henry's coefficients and better predictions for CO2-H2O systems and diffusion in water.
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