Bridging molecular-scale interfacial science with continuum-scale models
Anastasia G. Ilgen,
Eric Borguet,
Franz M. Geiger
et al.
Abstract:Solid–water interfaces are crucial for clean water, conventional and renewable energy, and effective nuclear waste management. However, reflecting the complexity of reactive interfaces in continuum-scale models is a challenge, leading to oversimplified representations that often fail to predict real-world behavior. This is because these models use fixed parameters derived by averaging across a wide physicochemical range observed at the molecular scale. Recent studies have revealed the stochastic nature of mole… Show more
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