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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 molecular-level surface sites that define a variety of reaction mechanisms, rates, and products even across a single surface. To bridge the molecular knowledge and predictive continuum-scale models, we propose to represent surface properties with probability distributions rather than with discrete constant values derived by averaging across a heterogeneous surface. This conceptual shift in continuum-scale modeling requires exponentially rising computational power. By incorporating our molecular-scale understanding of solid–water interfaces into continuum-scale models we can pave the way for next generation critical technologies and novel environmental solutions.
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Catalyst: The roles of chemistry in clean water for all
Understanding nanoscale interfacial reactions unlocks the chemistry controls that are critical for clean water generation. This Catalyst discusses three important roles of chemistry in clean water: Understanding and controlling evolving interfaces induced by nucleation, deciphering and utilizing hidden interfaces in nanoconfined spaces, and harnessing interfaces with functionalized surfaces. Chemically guided developments of new materials and technologies for purifying clean water can bring all water resources back to one H2O, which supports life for all people.
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- Award ID(s):
- 1905077
- PAR ID:
- 10482879
- Publisher / Repository:
- Cell Press
- Date Published:
- Journal Name:
- Chem
- Volume:
- 9
- Issue:
- 6
- ISSN:
- 2451-9294
- Page Range / eLocation ID:
- 1335 to 1339
- Subject(s) / Keyword(s):
- Water Interfaces Nanochemistry Interfacial Nanochemistry Nucleation Nanopores
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1016/j.chempr.2023.04.002
