ArticleChemical science2020
Insights into the behavior of nonanoic acid and its conjugate base at the air/water interface through a combined experimental and theoretical approach.
Article in Chemical science, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed, 31 citations in OpenAlex.
- Changes in Protonation State of Atmospherically Relevant α-Hydroxyacids at the Air-Water Interface Measured by Surface Tension and IR-RAS.The journal of physical chemistry. A · 2025Article
- Interfacial Enrichment of Lauric Acid Assisted by Long-Chain Fatty Acids, Acidity and Salinity at Sea Spray Aerosol Surfaces.The journal of physical chemistry. A · 2024Article
- Comprehensive Approach to the Interpretation of the Electrical Properties of Film-Forming Molecules.The journal of physical chemistry. B · 2022Article
- Vibrational exciton delocalization precludes the use of infrared intensities as proxies for surfactant accumulation on aqueous surfaces.Chemical science · 2021Article
- Relationship between the Bulk and Surface Basicity of Aliphatic Amines: A Quantum Chemical Approach.ACS omega · 2020Article
Corrections and comments
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Authors and funding
8 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The partitioning of medium-chain fatty acid surfactants such as nonanoic acid (NA) between the bulk phase and the air/water interface is of interest to a number of fields including marine and atmospheric chemistry. However, questions remain about the behavior of these molecules, the contributions of various relevant chemical equilibria, and the impact of pH, salt and bulk surfactant concentrations. In this study, the surface adsorption of nonanoic acid and its conjugate base is quantitatively investigated at various pH values, surfactant concentrations and the presence of salts. Surface concentrations of protonated and deprotonated species are dictated by surface-bulk equilibria which can be calculated from thermodynamic considerations. Notably we conclude that the surface dissociation constant of soluble surfactants cannot be directly obtained from these experimental measurements, however, we show that molecular dynamics (MD) simulation methods, such as free energy perturbation (FEP), can be used to calculate the surface acid dissociation constant relative to that in the bulk. These simulations show that nonanoic acid is less acidic at the surface compared to in the bulk solution with a p
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Registered trials
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