Basic Equation for Pressure Field
Molecular Kinetic Energy
Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation
Van der Waals Equation
Equilibrium Conditions for a Particle
Dalton's Law of Partial Pressure
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Updated: Dec 21, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Sigbjørn Løland Bore1, Hima Bindu Kolli1, Antonio De Nicola2
1Department of Chemistry, and Hylleraas Centre for Quantum Molecular Sciences, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway.
This study introduces a new method for hybrid particle-field simulations, enabling modeling of soft matter at constant external pressure. This advance accurately captures equation of state and surface phenomena in complex systems.
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