Development of lithium attachment mass spectrometry – knudsen effusion and chemical ionisation mass spectrometry (KEMS, CIMS)

Booth, A.; Bannan, Thomas J.; Benyezzar, Med; Bacak, Asan; Alfarra, M. R.; Topping, David; Percival, Carl J.

doi:10.1039/c7an01161j

Cited by 7 publications

(7 citation statements)

References 24 publications

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“…The importance of this fundamental property is discussed extensively in Bilde et al (2015), and the sensitivity of predicted mass, composition and particle properties to uncertainties in VP vary according to the complexity of the system being studied, both with regards to the number of compounds used in partitioning and additional processes included in any model (Valorso et al, 2011;O'Meara et al, 2014;McVay et al, 2016). Single-component measurements of vapour pressures using instruments such as the Knudsen Effusion Mass Spectrometry (KEMS), following the methodology of Booth et al (2009), have been recently reported (Booth et al, 2012;Bannan et al, 2017) and have been extended to consider vapour pressures in simple multicomponent systems (Booth et al, 2017). Such measurements are ongoing with the KEMS, focusing on atmospherically relevant compounds.…”

Section: Introductionmentioning

confidence: 99%

A method for extracting calibrated volatility information from the FIGAERO-HR-ToF-CIMS and its experimental application

et al. 2019

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Abstract. The Filter Inlet for Gases and AEROsols (FIGAERO) is an inlet specifically designed to be coupled with the Aerodyne High-Resolution Time-of-Flight Chemical Ionization Mass Spectrometer (HR-ToF-CIMS). The FIGAERO-HR-ToF-CIMS provides simultaneous molecular information relating to both the gas- and particle-phase samples and has been used to extract vapour pressures (VPs) of the compounds desorbing from the filter whilst giving quantitative concentrations in the particle phase. However, such extraction of vapour pressures of the measured particle-phase components requires use of appropriate, well-defined, reference compounds. Vapour pressures for the homologous series of polyethylene glycols (PEG) ((H-(O-CH2-CH2)n-OH) for n=3 to n=8), covering a range of vapour pressures (VP) (10−1 to 10−7 Pa) that are atmospherically relevant, have been shown to be reproduced well by a range of different techniques, including Knudsen Effusion Mass Spectrometry (KEMS). This is the first homologous series of compounds for which a number of vapour pressure measurement techniques have been found to be in agreement, indicating the utility as a calibration standard, providing an ideal set of benchmark compounds for accurate characterization of the FIGAERO for extracting vapour pressure of measured compounds in chambers and the real atmosphere. To demonstrate this, single-component and mixture vapour pressure measurements are made using two FIGAERO-HR-ToF-CIMS instruments based on a new calibration determined from the PEG series. VP values extracted from both instruments agree well with those measured by KEMS and reported values from literature, validating this approach for extracting VP data from the FIGAERO. This method is then applied to chamber measurements, and the vapour pressures of known products are estimated.

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Section: Introductionmentioning

confidence: 99%

A method for extracting calibrated volatility information from the FIGAERO-HR-ToF-CIMS and its experimental application

et al. 2019

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“…The isomers DBP and DIBP have identical mass numbers. As is the case with the ion attachment mass spectrometry (IA-MS), [29–31] the mass separation cannot directly be achieved, with the present system, for the isomers with identical mass numbers such as DBP and DIBP (figure 3). Accordingly, DBP and DIBP were evaluated as one mass spectrum of the same mass number (table 2).…”

Section: Resultsmentioning

confidence: 98%

Screening analysis of RoHS directive hazardous substances (phthalate esters and bromodiphenyl ethers) by novel mass spectrometry using soft ionization

et al. 2019

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In 2013, the European Union expanded the list of hazardous substances contained in the RoHS Directive. In addition, certain phthalate esters, such as dibutyl phthalate (DBP), butyl benzyl phthalate (BBP), di-2-ethylhexyl phthalate (DEHP) and diisobutyl phthalate (DIBP), will be categorized as RoHS-prohibited substances starting from July 2019. Although pyrolysis–gas chromatography–mass spectrometry (Py-GC-MS) is a promising analytical method for the screening of phthalate esters, we have developed a novel soft-ionization MS method that is quantitative as well as faster and more convenient for this purpose. The sample was measured three times, after providing the calibration curve using a powdery standard material of SPEX. The data collection time is 5 min, and continuous measurements are completed within 8 min per sample. The mass spectrum was corrected by dividing the intensity by the sample weight. For the coefficient of variation, DBP was 2.9%, BBP was 3.4%, DEHP was 3.6%, and good reproducibility was observed. Precise analyses of phthalate esters using traditional methods can require solvent extraction times of up to 24 h as well as special techniques. Therefore, a screening method that can be easily carried out by anyone within ten minutes is very attractive.

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“…The PEG series has now been employed by new techniques such as, those in Booth et al (Booth et al, 2017) and Bannan et al (Bannan et al, 2019).…”

Section: Knudsen Effusion Mass Spectrometry System (Kems)mentioning

confidence: 99%

Measured solid state and sub-cooled liquid vapour pressures of nitroaromatics using Knudsen effusion mass spectrometry

Shelley¹,

Bannan²,

Worrall³

et al. 2020

Preprint

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Abstract. Knudsen Effusion Mass Spectrometry (KEMS) was used to measure the solid state saturation vapour pressure (PSsat) of a range of atmospherically relevant nitroaromatic compounds over the temperature range from 298 to 328 K. The selection of species analysed contained a range of geometric isomers and differing functionalities, allowing for the impacts of these factors on saturation vapour pressure (Psat) to be probed. Three subsets of nitroaromatics were investigated, nitrophenols, nitrobenzaldehydes and nitrobenzoic acids. The PSsat were converted to sub-cooled liquid saturation vapour pressures (PLsat) using experimental enthalpy of fusion and melting point values measured using differential scanning calorimetry (DSC). The PLsat were compared to those estimated by predictive techniques and, with a few exceptions, were found to be up to 7 orders of magnitude lower. The large differences between the estimated PLsat and the experimental can be attributed to the predictive techniques not containing parameters to adequately account for functional group positioning around an aromatic ring, or the interactions between said groups. When comparing the experimental PSsat of the measured compounds the ability to hydrogen bond (H-Bond), and the strength of a H-bond formed appear to have the strongest influence on the magnitude of the Psat with steric effects and molecular weight also being major factors. Comparisons were made between the KEMS system and data from diffusion-controlled evaporation rates of single particles in an electrodynamic balance (EDB). The KEMS and the EDB showed good agreement with each other for the compounds investigated.

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Development of lithium attachment mass spectrometry – knudsen effusion and chemical ionisation mass spectrometry (KEMS, CIMS)

Cited by 7 publications

References 24 publications

A method for extracting calibrated volatility information from the FIGAERO-HR-ToF-CIMS and its experimental application

A method for extracting calibrated volatility information from the FIGAERO-HR-ToF-CIMS and its experimental application

Screening analysis of RoHS directive hazardous substances (phthalate esters and bromodiphenyl ethers) by novel mass spectrometry using soft ionization

Measured solid state and sub-cooled liquid vapour pressures of nitroaromatics using Knudsen effusion mass spectrometry

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