The opposing effect of butanol and butyric acid on the abundance of bromide and iodide at the aqueous solution-air interface

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F19%3A00505512" target="_blank" >RIV/61388963:_____/19:00505512 - isvavai.cz</a>

Result on the web

<a href="https://pubs.rsc.org/en/content/articlelanding/2019/CP/C8CP07448H#!divAbstract" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2019/CP/C8CP07448H#!divAbstract</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c8cp07448h" target="_blank" >10.1039/c8cp07448h</a>

Result language

angličtina

Original language name

The opposing effect of butanol and butyric acid on the abundance of bromide and iodide at the aqueous solution-air interface

Original language description

The efficient oxidation of iodide and bromide at the aqueous solution-air interface of the ocean or of sea spray aerosol particles had been suggested to be related to their surface propensity. The ubiquitous presence of organic material at the ocean surface calls for an assessment of the impact of often surface-active organic compounds on the interfacial density of halide ions. We used in situ X-ray photoelectron spectroscopy with a liquid micro-jet to obtain chemical composition information at aqueous solution-vapor interfaces from mixed aqueous solutions containing bromide or iodide and 1-butanol or butyric acid as organic surfactants. Core level spectra of Br 3d, Na 2s, C 1s and O 1s at ca. 160 eV kinetic energy and core level spectra of I 4d and O 1s at ca. 400 eV kinetic energy are compared for solutions with 1-butanol and butyric acid as a function of organic concentration. A simple model was developed to account for the attenuation of photoelectrons by the aliphatic carbon layer of the surfactants and for changing local density of bromide and iodide in response to the presence of the surfactants. We observed that 1-butanol increases the interfacial density of bromide by 25%, while butyric acid reduces it by 40%, both in comparison to the pure aqueous halide solution. Qualitatively similar behavior was observed for the case of iodide. Classical molecular dynamics simulations failed to reproduce the details of the response of the halide ions to the presence of the two organics. This is attributed to the lack of correct monovalent ion parameters at low concentration possibly leading to an overestimation of the halide ion concentration at the interface in absence of organics. The results clearly demonstrate that organic surfactants change the electrostatic interactions near the interface with headgroup specific effects. This has implications for halogen activation processes specifically when oxidants interact with halide ions at the aqueous solution-air interfaces of the ocean surface or sea spray aerosol particles.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10403 - Physical chemistry

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2019

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

—

Volume of the periodical

21

Issue of the periodical within the volume

16

Country of publishing house

GB - UNITED KINGDOM

Number of pages

10

Pages from-to

8418-8427

UT code for WoS article

000465603200019

EID of the result in the Scopus database

2-s2.0-85064983433