Quantified Interfacial Affinity of Hydrogen Sulfate and Sulfate Speciation in Model Marine Aerosol Particles.
- 1Department of Biology, Chemistry, and Environmental Science, Christopher Newport University, Newport News, Virginia23606, United States.
- 2Department of Biology, Agriculture, and Chemistry, California State University Monterey Bay, Seaside, California93955, United States.
Abstract
Heterogeneous reactions occurring in atmospheric aerosols are crucial components of multiple chemical reaction cycles. Sulfate species exert substantial influence on many heterogeneous reaction mechanisms due to their abundance and speciation. Despite the importance of sulfate species on heterogeneous reactions, quantitative descriptions of interfacial affinity and sulfate species partitioning at interfaces remain incomplete. Here, we quantify the interfacial properties of HSO4-, using cetyltrimethylammonium hydrogen sulfate (CTAHS) reverse micelles (RMs), as model marine aerosol particles. Infrared spectra (IR) of CTAHS RMs were collected and analyzed using multivariate curve resolution-alternating least-squares (MCR-ALS). MCR-ALS analysis reveals that four distinct species contribute to the observed IR spectra, which we assign as CTA+-HSO4- contact pairs (CPs), interfacial HSO4-, core HSO4-, and core SO42-. Computational studies reveal that the CTA+-HSO4- CPs exist in two distinct orientations at the interface. Spectral contributions from each chemical species are used to determine the quantitative interfacial affinity (χInt.) of HSO4-. Our observations indicate that the cationic charge of the interface alters the ionic distribution of sulfate species compared to air-water interfaces, placing H3O+ below HSO4-.
Related
- Reconfiguring interfacial hydrogen-bond networks to enhance anodic oxidation for efficient wastewater treatment
- Coastal Landfills as Emerging and Poorly Quantified Sources of Marine Microplastics: Evidence Gaps, Flux Scenarios and Research Priorities
- N2O source partitioning and reduction progress quantified with isotopocule datasets – a review of the modelling strategies
- Endosymbiotic bioenergetic synergy behind adaptation and speciation of rainforest warblers
- Engineering cyanobacterial resilience for cadmium bioremediation: linking Cd speciation, cellular detoxification, and synthetic biology.
BibTeX
@article{ritchie2026quantified,
title = {{Quantified Interfacial Affinity of Hydrogen Sulfate and Sulfate Speciation in Model Marine Aerosol Particles.}},
author = {Leslie M Ritchie and Madison B Lester and Arun K Sharma and Joshua D Patterson},
journal = {The journal of physical chemistry. A},
year = {2026},
month = sep,
doi = {10.1021/acs.jpca.6c04034},
url = {https://europepmc.org/article/MED/42915077},
note = {CC BY},
}
RIS
TY - JOUR
TI - Quantified Interfacial Affinity of Hydrogen Sulfate and Sulfate Speciation in Model Marine Aerosol Particles.
AU - Leslie M Ritchie
AU - Madison B Lester
AU - Arun K Sharma
AU - Joshua D Patterson
PY - 2026
DA - 2026/09/01
JO - The journal of physical chemistry. A
DO - 10.1021/acs.jpca.6c04034
UR - https://europepmc.org/article/MED/42915077
AB - Heterogeneous reactions occurring in atmospheric aerosols are crucial components of multiple chemical reaction cycles. Sulfate species exert substantial influence on many heterogeneous reaction mechanisms due to their abundance and speciation. Despite the importance of sulfate species on heterogeneous reactions, quantitative descriptions of interfacial affinity and sulfate species partitioning at interfaces remain incomplete. Here, we quantify the interfacial properties of HSO4-, using cetyltrimethylammonium hydrogen sulfate (CTAHS) reverse micelles (RMs), as model marine aerosol particles. Infrared spectra (IR) of CTAHS RMs were collected and analyzed using multivariate curve resolution-alternating least-squares (MCR-ALS). MCR-ALS analysis reveals that four distinct species contribute to the observed IR spectra, which we assign as CTA+-HSO4- contact pairs (CPs), interfacial HSO4-, core HSO4-, and core SO42-. Computational studies reveal that the CTA+-HSO4- CPs exist in two distinct orientations at the interface. Spectral contributions from each chemical species are used to determine the quantitative interfacial affinity (χInt.) of HSO4-. Our observations indicate that the cationic charge of the interface alters the ionic distribution of sulfate species compared to air-water interfaces, placing H3O+ below HSO4-.
SN - 1089-5639
SN - 1520-5215
ER -