ArticleACS central science2016
Surface Propensities of the Self-Ions of Water.
Article in ACS central science, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
14 citing papers in PubMed.
- Hydroxide and Hydrophobic Tetrabutylammonium Ions at the Hydrophobe-Water Interface.Molecules (Basel, Switzerland) · 2025Article
- Double-Layer Distribution of Hydronium and Hydroxide Ions in the Air-Water Interface.ACS physical chemistry Au · 2024Article
- Atmospheric Intermediates at the Air-Water Interface.The journal of physical chemistry. A · 2024Review
- A Carbon Is a Carbon Is a Carbon: Orbital-Free Simulations of Hydrocarbon Chemistry without Resort to Atom Types.The journal of physical chemistry. A · 2022Article
- Review of High-Frequency Ultrasounds Emulsification Methods and Oil/Water Interfacial Organization in Absence of any Kind of Stabilizer.Foods (Basel, Switzerland) · 2022Review
- Equilibrium and Dynamic Surface Tension Behavior in Colloidal Unimolecular Polymers (CUP).Polymers · 2022Article
- Computer Simulation of a Surface Charge Nanobiosensor with Internal Signal Integration.Biosensors · 2021Article
- Condensing water vapor to droplets generates hydrogen peroxide.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
- Spatial localization of charged molecules by salt ions in oil-confined water microdroplets.Science advances · 2020Article
- The Surface Activity of the Hydrated Proton Is Substantially Higher than That of the Hydroxide Ion.Angewandte Chemie (International ed. in English) · 2019Article
- Aerosol microdroplets exhibit a stable pH gradient.Proceedings of the National Academy of Sciences of the United States of America · 2018Article
- Collaborative routes to clarifying the murky waters of aqueous supramolecular chemistry.Nature chemistry · 2017Review
- Classical Molecular Dynamics with Mobile Protons.Journal of chemical information and modeling · 2017Article
- Chemistry with semi-classical electrons: reaction trajectories auto-generated by sub-atomistic force fields.Chemical science · 2017Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The surface charge of water, which is important in a wide range of chemical, biological, material, and environmental contexts, has been a subject of lengthy and heated debate. Recently, it has been shown that the highly efficient LEWIS force field, in which semiclassical, independently mobile valence electron pairs capture the amphiproticity, polarizability and H-bonding of water, provides an excellent description of the solvation and dynamics of hydroxide and hydronium in bulk water. Here we turn our attention to slabs, cylinders, and droplets. In extended simulations with 1000 molecules, we find that hydroxide consistently prefers the surface, hydronium consistently avoids the surface, and the two together form an electrical double layer until neutralization occurs. The behavior of hydroxide can largely be accounted for by the observation that hydroxide moving to the surface loses fewer hydrogen bonds than are gained by the water molecule that it displaces from the surface. At the same time, since the orientation of the hydroxide increases the ratio of dangling hydrogens to dangling lone pairs, the proton activity of the exposed surface may be increased, rather than decreased. Hydroxide also moves more rapidly in the surface than in the bulk, likely because the proton donating propensity of neighboring water molecules is focused on the one hydrogen that is not dangling from the surface.
Identifiers
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.