On-line characterization of squalane aerosols using thermal desorption/tunable vacuum ultraviolet time-of-flight photoionization aerosol mass spectrometry

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081715%3A_____%2F25%3A00618924" target="_blank" >RIV/68081715:_____/25:00618924 - isvavai.cz</a>

Výsledek na webu

<a href="https://hdl.handle.net/11104/0365716" target="_blank" >https://hdl.handle.net/11104/0365716</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.talanta.2025.128044" target="_blank" >10.1016/j.talanta.2025.128044</a>

Jazyk výsledku

angličtina

Název v původním jazyce

On-line characterization of squalane aerosols using thermal desorption/tunable vacuum ultraviolet time-of-flight photoionization aerosol mass spectrometry

Popis výsledku v původním jazyce

effects on air pollution, global climate and human health. Therefore, analysis of chemical composition of OA in real-time is vital to understanding the formation and reaction mechanisms of organic aerosols. In this work,nvacuum ultraviolet (VUV) photoionization mass spectra of squalane aerosol, a good proxy for long chain hydrocarbons often detected in ambient OA, has been performed with a home-made thermal desorption/tunablenVUV photoionization aerosol time-of-flight mass spectrometer based on synchrotron radiation (SR). The dependence of photoionization mass spectra of squalane aerosols upon the vaporization temperature and ionizationnenergy were investigated in detail. The ionization energy (IE) of parent molecule (IEsq = 9.43 eV) and the corresponding appearance energies (AEs) of fragments ions were determined. It is shown that the choice of thenappropriate vaporization temperature is helpful for analysis of mass spectra of OA, and the measurement of the photoionization efficiency (PIE) curve is crucial to identifying the molecular chemical components of the fragmentnions. The dissociative photoionization of squalane aerosol was further studied theoretically with ab initio calculations at M062X level. The qualitative agreement between experimental and theoretical results on dissociativenphotoionization channels demonstrated that the mechanism of dissociative photoionization of squalane aerosol can be studied by controlling the vaporization temperature, which is important for chemical compositionnanalysis of OA in atmosphere. The findings in this work indicate the potential application of soft ionization aerosol mass spectrometry based on SR for characterization of atmospheric aerosols, especially OA.

Název v anglickém jazyce

On-line characterization of squalane aerosols using thermal desorption/tunable vacuum ultraviolet time-of-flight photoionization aerosol mass spectrometry

Popis výsledku anglicky

effects on air pollution, global climate and human health. Therefore, analysis of chemical composition of OA in real-time is vital to understanding the formation and reaction mechanisms of organic aerosols. In this work,nvacuum ultraviolet (VUV) photoionization mass spectra of squalane aerosol, a good proxy for long chain hydrocarbons often detected in ambient OA, has been performed with a home-made thermal desorption/tunablenVUV photoionization aerosol time-of-flight mass spectrometer based on synchrotron radiation (SR). The dependence of photoionization mass spectra of squalane aerosols upon the vaporization temperature and ionizationnenergy were investigated in detail. The ionization energy (IE) of parent molecule (IEsq = 9.43 eV) and the corresponding appearance energies (AEs) of fragments ions were determined. It is shown that the choice of thenappropriate vaporization temperature is helpful for analysis of mass spectra of OA, and the measurement of the photoionization efficiency (PIE) curve is crucial to identifying the molecular chemical components of the fragmentnions. The dissociative photoionization of squalane aerosol was further studied theoretically with ab initio calculations at M062X level. The qualitative agreement between experimental and theoretical results on dissociativenphotoionization channels demonstrated that the mechanism of dissociative photoionization of squalane aerosol can be studied by controlling the vaporization temperature, which is important for chemical compositionnanalysis of OA in atmosphere. The findings in this work indicate the potential application of soft ionization aerosol mass spectrometry based on SR for characterization of atmospheric aerosols, especially OA.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10406 - Analytical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

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

Název periodika

Talanta

ISSN

0039-9140

e-ISSN

1873-3573

Svazek periodika

OCT

Číslo periodika v rámci svazku

293

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

10

Strana od-do

128044

Kód UT WoS článku

001482418300001

EID výsledku v databázi Scopus

2-s2.0-105002156276