Retention-index based vapor pressure estimation for polychlorobiphenyl (PCB) by gas chromatography

Fischer, Robert F. H.; Wittlinger, R; Ballschmiter, Karlheinz

doi:10.1007/bf00322199

Cited by 54 publications

(35 citation statements)

References 14 publications

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“…This partitioning process is sufficiently similar to the one responsible for gas-wall partitioning of organic compounds in Teflon film chambers to suggest that retention of compounds on a GC column might correlate with [OC w /OC g ] eq values and thus provide a simple means for estimating gas-wall partitioning via GC analysis. This approach seems especially promising given that gas chromatography has been successfully used to estimate vapor pressures for a variety of compounds by correlating vapor pressure to retention time (Fischer et al 1992;Donovan 1996;Luxenhofer et al 1996;Lei et al 1999), and it was shown above in Equation (2) that [OC w /OC g ] eq is inversely proportional to P o . The DB-5 GC column (Agilent Technologies) used here is a cross-linked/surface bonded 5% phenyl, 95% methylpolysiloxane capillary column that has been used previously to estimate vapor pressures of polychlorinated napthalenes (Lei et al 1999), and so is expected to provide reasonable correlations between GC retention time and [OC w /OC g ] eq .…”

Section: Gas-wall Partitioning Model and Structure-activitymentioning

confidence: 99%

Gas-Wall Partitioning of Oxygenated Organic Compounds: Measurements, Structure–Activity Relationships, and Correlation with Gas Chromatographic Retention Factor

Yeh

Ziemann

2015

Aerosol Science and Technology

105

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Gas-wall partitioning of 50 oxygenated organic compounds was investigated by using gas chromatography to monitor timedependent gas-phase concentrations of authentic standards added to a large Teflon environmental chamber. Compounds included C 8 -C 14 monofunctional ketones and alcohols, C 5 -C 9 monoacids, and C 4 -C 10 diols with linear and cyclic structures. Measured time constants for reaching gas-wall partitioning equilibrium ranged from »10 to 100 min with an average value of »30 min and exhibited no obvious trend with compound structure, whereas the extent of equilibrium partitioning to the walls ranged from »0 to 100% and increased with increasing carbon number and with functional group composition in the order ketones < alcohols < monoacids < diols. When results were modeled using an approach analogous to one commonly used to describe absorptive gas-particle partitioning in terms of compound vapor pressure and aerosol mass loading it was determined that the absorptive properties of the Teflon film walls were equivalent to 2-36 mg m ¡3 of liquid organic aerosol particles. These results, when combined with those obtained in previous studies, indicate that most multifunctional products formed from the oxidation of atmospherically important hydrocarbons including isoprene, monoterpenes, aromatics, and alkanes have the potential to undergo significant partitioning to the walls of Teflon chambers and thus be lost from further chemical reaction and secondary organic aerosol formation as well as from gas and particle analyses. Two approaches for estimating equilibrium gas-wall partitioning in such studies are presented: one is a structure-activity relationship based on the absorptive gas-wall partitioning model and the other involves the use of observed correlations between gas-wall partitioning and compound retention on a gas chromatographic column.

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Section: Gas-wall Partitioning Model and Structure-activitymentioning

confidence: 99%

Gas-Wall Partitioning of Oxygenated Organic Compounds: Measurements, Structure–Activity Relationships, and Correlation with Gas Chromatographic Retention Factor

Yeh

Ziemann

2015

Aerosol Science and Technology

105

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“…Retention indices of halogenated anisoles and benzenes on CP-Sil 2 relative to the homologous series of ATA (1 x (C7-trichloroacetate) = 1400). Pressure program: 30 kPa (0. anisoles, calculated by the method of Fischer et al [38], are listed in Table II. The retention indices range from 1100 to 2500 index units (2,6-dichloroanisole (A7), 1116.6; pentabromoanisole (A38), 2498).…”

Section: Gas Chromatographymentioning

confidence: 99%

Analysis of halogenated methoxybenzenes and hexachlorobenzene (HCB) in the picogram m−3 range in marine air

et al. 1997

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SummaryHalogenated methoxybenzenes (halogenated anisoles) and hexachlorobenzene (HCB) have been analyzed in marine air samples from the lower troposphere of the East Atlantic Ocean, taken on the German research vessel "Polarstern' during two cruises in 1993 and 1994, and in air samples from the North Pacific Ocean (1995). The high-volume sampling method, sample preparation and analysis by HRGC-ECD and HRGC-MSD-SIM are described. The effectiveness of a new graphitized-carboncovered silica sorbent (ANGI-Sorb B) for the sampling of semi-volatiles is demonstrated. Eight congeners of the halogenated anisoles and HCB were detected in almost all marine air samples. The concentrations of the chloroanisoles, which show a distinct north-south interhemispherical gradient, were between 0.2 and 145 pg m-3; for the bromoanisoles concentrations were between 0.2 and 42 pg m -3. Only a weak inter-hemispheric gradient was observed for HCB at levels of 10--40 pg m -3. Levels of HCB were approximately 100 pg m -3 in continentally influenced air. Biogenic and indirect anthropogenic sources of the halogenated anisoles are discussed.

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“…GC can also be used for indirect prediction of vapor pressure. The method is based on the correlation of the inverse of GC retention time to vapor pressure and has been found to give reasonable results for non-polar organic compounds (17) and polychlorobiphenyl (18). No references to the method's use for predicting the vapor pressure of energetic materials was found in the literature.…”

Section: Introductionmentioning

confidence: 99%

New Micro-Method for Prediction of Vapor Pressure of Energetic Materials

Pesce‐Rodriguez¹,

Klier²

2014

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Retention-index based vapor pressure estimation for polychlorobiphenyl (PCB) by gas chromatography

Cited by 54 publications

References 14 publications

Gas-Wall Partitioning of Oxygenated Organic Compounds: Measurements, Structure–Activity Relationships, and Correlation with Gas Chromatographic Retention Factor

Gas-Wall Partitioning of Oxygenated Organic Compounds: Measurements, Structure–Activity Relationships, and Correlation with Gas Chromatographic Retention Factor

Analysis of halogenated methoxybenzenes and hexachlorobenzene (HCB) in the picogram m−3 range in marine air

New Micro-Method for Prediction of Vapor Pressure of Energetic Materials

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