Simulating and explaining passive air sampling rates for semivolatile compounds on polyurethane foam passive samplers

Nicholas T Petrich; Scott N Spak; Gregory R Carmichael; Dingfei Hu; Andres Martinez; Keri C Hornbuckle

doi:10.1021/es401532q

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Simulating and explaining passive air sampling rates for semivolatile compounds on polyurethane foam passive samplers

Journal article

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Peer reviewed

Simulating and explaining passive air sampling rates for semivolatile compounds on polyurethane foam passive samplers

Nicholas T Petrich, Scott N Spak, Gregory R Carmichael, Dingfei Hu, Andres Martinez and Keri C Hornbuckle

Environmental science & technology, Vol.47(15), pp.8591-8598

08/06/2013

DOI: 10.1021/es401532q

PMCID: PMC3764502

PMID: 23837599

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http://doi.org/10.1021/es401532qView

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Abstract

Passive air samplers (PAS) including polyurethane foam (PUF) are widely deployed as an inexpensive and practical way to sample semivolatile pollutants. However, concentration estimates from PAS rely on constant empirical mass transfer rates, which add unquantified uncertainties to concentrations. Here we present a method for modeling hourly sampling rates for semivolatile compounds from hourly meteorology using first-principle chemistry, physics, and fluid dynamics, calibrated from depuration experiments. This approach quantifies and explains observed effects of meteorology on variability in compound-specific sampling rates and analyte concentrations, simulates nonlinear PUF uptake, and recovers synthetic hourly concentrations at a reference temperature. Sampling rates are evaluated for polychlorinated biphenyl congeners at a network of Harner model samplers in Chicago, IL, during 2008, finding simulated average sampling rates within analytical uncertainty of those determined from loss of depuration compounds and confirming quasilinear uptake. Results indicate hourly, daily, and interannual variability in sampling rates, sensitivity to temporal resolution in meteorology, and predictable volatility-based relationships between congeners. We quantify the importance of each simulated process to sampling rates and mass transfer and assess uncertainty contributed by advection, molecular diffusion, volatilization, and flow regime within the PAS, finding that PAS chamber temperature contributes the greatest variability to total process uncertainty (7.3%).

Models, Theoretical

Air Pollutants - analysis

Polyurethanes - chemistry

Volatilization

Details

Title: Subtitle: Simulating and explaining passive air sampling rates for semivolatile compounds on polyurethane foam passive samplers
Creators: Nicholas T Petrich - Department of Civil & Environmental Engineering, The University of Iowa , Iowa City, Iowa 52242, United States
Scott N Spak
Gregory R Carmichael
Dingfei Hu
Andres Martinez
Keri C Hornbuckle
Resource Type: Journal article
Publication Details: Environmental science & technology, Vol.47(15), pp.8591-8598
DOI: 10.1021/es401532q
PMID: 23837599
PMCID: PMC3764502
NLM abbreviation: Environ Sci Technol
ISSN: 0013-936X
eISSN: 1520-5851
Publisher: United States
Grant note: P42 ES013661 / NIEHS NIH HHS
Language: English
Date published: 08/06/2013
Academic Unit: Civil and Environmental Engineering; Occupational and Environmental Health; IIHR--Hydroscience and Engineering; Nursing; Public Policy Center (Archive); Chemical and Biochemical Engineering; School of Planning and Public Affairs; Iowa Superfund Research Program
Record Identifier: 9983997969402771

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