DOI: 10.1016/j.atmosenv.2014.11.054
Scopus记录号: 2-s2.0-84983127828
论文题名: Modeling regional secondary organic aerosol using the Master Chemical Mechanism
作者: Li J ; , Cleveland M ; , Ziemba L ; D ; , Griffin R ; J ; , Barsanti K ; C ; , Pankow J ; F ; , Ying Q
刊名: Atmospheric Environment
ISSN: 0168-2563
EISSN: 1573-515X
出版年: 2015
卷: 102 起始页码: 52
结束页码: 61
语种: 英语
英文关键词: CMAQ model
; Glyoxal
; Isoprene epoxydiol
; MCMv3.2
; Surface reactive uptake
Scopus关键词: Aerosols
; Air quality
; Chemical compounds
; Hydrostatic pressure
; Isoprene
; Molecules
; Phase separation
; Vapor pressure
; Volatile organic compounds
; Cmaq models
; Equilibrium partitioning
; Glyoxal
; Master chemical mechanism
; MCMv3.2
; Saturation vapor pressure
; Secondary organic aerosols
; Sensitivity Simulation
; Urban growth
; caryophyllene
; glyoxal
; hydrocarbon
; isoprene
; isoprene epoxydiol
; methylglyoxal
; unclassified drug
; volatile organic compound
; aerosol
; air quality
; concentration (composition)
; isoprene
; oxidation
; saturation
; spatiotemporal analysis
; terpene
; urban area
; vapor pressure
; volatile organic compound
; acidity
; aerosol
; air quality
; analytic method
; Article
; circadian rhythm
; environmental temperature
; master chemical mechanism
; molecular weight
; oxidation
; ozonolysis
; phase separation
; photochemistry
; photodegradation
; priority journal
; secondary organic aerosol
; thermodynamics
; United States
; urban area
; vapor pressure
; Houston
; Texas
; United States
Scopus学科分类: Environmental Science: Water Science and Technology
; Earth and Planetary Sciences: Earth-Surface Processes
; Environmental Science: Environmental Chemistry
英文摘要: A modified near-explicit Master Chemical Mechanism (MCM, version 3.2) with 5727 species and 16,930 reactions and an equilibrium partitioning module was incorporated into the Community Air Quality Model (CMAQ) to predict the regional concentrations of secondary organic aerosol (SOA) from volatile organic compounds (VOCs) in the eastern United States (US). In addition to the semi-volatile SOA from equilibrium partitioning, reactive surface uptake processes were used to simulate SOA formation due to isoprene epoxydiol, glyoxal and methylglyoxal. The CMAQ-MCM-SOA model was applied to simulate SOA formation during a two-week episode from August 28 to September 7, 2006. The southeastern US has the highest SOA, with a maximum episode-averaged concentration of ~12 μg m-3. Primary organic aerosol (POA) and SOA concentrations predicted by CMAQ-MCM-SOA agree well with AMS-derived hydrocarbon-like organic aerosol (HOA) and oxygenated organic aerosol (OOA) urban concentrations at the Moody Tower at the University of Houston. Predicted molecular properties of SOA (O/C, H/C, N/C and OM/OC ratios) at the site are similar to those reported in other urban areas, and O/C values agree with measured O/C at the same site. Isoprene epoxydiol is predicted to be the largest contributor to total SOA concentration in the southeast US, followed by methylglyoxal and glyoxal. The semi-volatile SOA components are dominated by products from β-caryophyllene oxidation, but the major species and their concentrations are sensitive to errors in saturation vapor pressure estimation. A uniform decrease of saturation vapor pressure by a factor of 100 for all condensable compounds can lead to a 150% increase in total SOA. A sensitivity simulation with UNIFAC-calculated activity coefficients (ignoring phase separation and water molecule partitioning into the organic phase) led to a 10% change in the predicted semi-volatile SOA concentrations. © 2014 Elsevier Ltd. Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/82147
Appears in Collections: 气候变化事实与影响
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作者单位: Zachry Department of Civil Engineering, Texas AandM University, College Station, TX, United States; SRA International, Washington, DC, United States; NASA Langley Research Center, Hampton, VA, United States; Department of Civil and Environmental Engineering, Rice University, Houston, TX, United States; Department of Civil and Environmental Engineering, Portland State UniversityOR, United States
Recommended Citation:
Li J,, Cleveland M,, Ziemba L,et al. Modeling regional secondary organic aerosol using the Master Chemical Mechanism[J]. Atmospheric Environment,2015-01-01,102