Impact/Purpose:
1. Using laboratory and field study data generated during FY99-FY04, develop a science version of a PM chemistry model for predicting ambient concentrations of water, inorganics, and organics in PM2.5 samples. The model will include the Aerosol Inorganic Model for predicting concentrations of inorganic compounds and a computational chemistry-based method for predicting concentrations of organic compounds.
2. Identify and evaluate methods for analyzing the polar fraction of PM2.5 samples.
3. Carry out short term field studies in Research Triangle Park, North Carolina in the summer and the winter to determine the composition of the organic fraction of ambient PM2.5 samples, with special emphasis placed on identifying and determining ambient concentrations of polar compounds.
4. Conduct laboratory studies to establish the chemical composition of secondary organic aerosol (SOA) and to determine source signatures for aromatic and biogenic SOA.
5. Conduct laboratory and theoretical investigations of thermodynamic properties of polar organic compounds.
6. Evaluate the science version of the PM chemistry model using laboratory and field data generated under this task as well as other available data in the literature.
7. Conduct PM chemistry-related special studies for OAQPS
Description:
PM chemistry models containing detailed treatments of key chemical processes controlling ambient concentrations of inorganic and organic compounds in PM2.5 are needed to develop strategies for reducing PM2.5 concentrations. This task, that builds on previous research conducted in this laboratory, will focus on developing the science version of a PM chemistry model (FY04 APM222), that after simplification and evaluation will be used by EPA and the States as a regulatory PM chemistry model to predict ambient PM2.5 concentrations. The research task will also include theoretical and laboratory investigations of thermodynamic properties of polar organic compounds, key constituents of the organic fraction of PM2.5. Furthermore, laboratory and field studies will be carried out to collect data for developing and evaluating the model, with special laboratory studies focusing on identifying chemical marker compounds for determining the contributions of biogenic and aromatic compounds to ambient PM2.5 concentrations. During the field studies, emphasis will be placed on identifying and determining the concentrations of polar organic compounds in PM2.5. Finally, special studies will be carried out for OAQPS to address atmospheric chemistry issues affecting the NOx transport rule and implementation of the PM2.5 NAAQS.
Related Records:
ORGANIC COMPOUNDS MEASURED IN PM2.5 DURING NEOPS
Relationship Reason:ORGANIC COMPOUNDS MEASURED IN PM2.5 DURING NEOPS61235DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
FORMATION OF 2-METHYL TETROLS AND 2-METHYLGLYCERIC ACID IN SECONDARY ORGANIC AEROSOL FROM LABORATORY IRRADIATED ISOPRENE/NO X/SO 2/AIR MIXTURES AND THEIR DETECTION IN AMBIENT PM 2.5 SAMPLES COLLECTED IN THE EASTERN UNITED STATES
Relationship Reason:FORMATION OF 2-METHYL TETROLS AND 2-METHYLGLYCERIC ACID IN SECONDARY ORGANIC AEROSOL FROM LABORATORY IRRADIATED ISOPRENE/NO
X/SO
2/AIR MIXTURES AND THEIR DETECTION IN AMBIENT PM
2.5 SAMPLES COLLECTED IN THE EASTERN UNITED STATES135924DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
EMERGING SCIENCE: EPA'S ORD SUPPORTS REGIONAL HAZE PROGRAM; POSTERS FROM BOSC REVIEW AND SCIENCE FORUM
Relationship Reason:EMERGING SCIENCE: EPA'S ORD SUPPORTS REGIONAL HAZE PROGRAM; POSTERS FROM BOSC REVIEW AND SCIENCE FORUM133827DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
CHARACTERIZATION OF AMBIENT PM2.5 AEROSOL AT A SOUTHEASTERN US SITE: FOURIER TRANSFORM INFRARED ANALYSIS OR PARTICLE PHASE
Relationship Reason:CHARACTERIZATION OF AMBIENT PM2.5 AEROSOL AT A SOUTHEASTERN US SITE: FOURIER TRANSFORM INFRARED ANALYSIS OR PARTICLE PHASE104633DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
AEROSOL INORGANICS AND ORGANICS MODEL (AIOM) WITH USER DEFINED PROPERTIES FOR ORGANIC COMPOUNDS
Relationship Reason:AEROSOL INORGANICS AND ORGANICS MODEL (AIOM) WITH USER DEFINED PROPERTIES FOR ORGANIC COMPOUNDS96644DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
COMMENTS ON "SIZE DISTRIBUTION OF ORGANONITRATES IN AMBIENT AEROSOL COLLECTED IN HOUSTON, TEXAS," AEROSOL SCIENCE AND TECHNOLOGY, 36:983-992 (2002)
Relationship Reason:COMMENTS ON "SIZE DISTRIBUTION OF ORGANONITRATES IN AMBIENT AEROSOL COLLECTED IN HOUSTON, TEXAS," AEROSOL SCIENCE AND TECHNOLOGY, 36:983-992 (2002)88613DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
COMPOSITION OF PM 2.5 DURING THE SUMMER OF 2003 IN RESEARCH TRIANGLE PARK, NORTH CAROLINA
Relationship Reason:COMPOSITION OF PM
2.5 DURING THE SUMMER OF 2003 IN RESEARCH TRIANGLE PARK, NORTH CAROLINA87760DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
SAMPLING DURATION DEPENDENCE OF SEMI-CONTINUOUS ORGANIC CARBON MEASUREMENTS ON STEADY STATE SECONDARY ORGANIC AEROSOLS
Relationship Reason:SAMPLING DURATION DEPENDENCE OF SEMI-CONTINUOUS ORGANIC CARBON MEASUREMENTS ON STEADY STATE SECONDARY ORGANIC AEROSOLS87679DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
EVIDENCE OF SECONDARY AEROSOL FORMATION FROM THE PHOTOOXIDATION OF MONOTERPENES IN THE SOUTHEASTERN UNITED STATES
Relationship Reason:EVIDENCE OF SECONDARY AEROSOL FORMATION FROM THE PHOTOOXIDATION OF MONOTERPENES IN THE SOUTHEASTERN UNITED STATES86094DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
IDENTIFICATION AND QUANTIFICATION OF AEROSOL POLAR OXYGENATED COMPOUNDS BEARING CARBOXYLIC AND/OR HYDROXYL GROUPS. 1. METHOD DEVELOPMENT
Relationship Reason:IDENTIFICATION AND QUANTIFICATION OF AEROSOL POLAR OXYGENATED COMPOUNDS BEARING CARBOXYLIC AND/OR HYDROXYL GROUPS. 1. METHOD DEVELOPMENT85632DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
DETERMINATION OF SECONDARY ORGANIC AEROSOL PRODUCTS FROM THE PHOTOOXIDATION OF TOLUENE AND THEIR IMPLICATIONS IN AMBIENT PM2.5
Relationship Reason:DETERMINATION OF SECONDARY ORGANIC AEROSOL PRODUCTS FROM THE PHOTOOXIDATION OF TOLUENE AND THEIR IMPLICATIONS IN AMBIENT PM2.585613DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
AEROSOL GROWTH IN A STEADY-STATE, CONTINUOUS FLOW CHAMBER: APPLICATION TO STUDIES OF SECONDARY AEROSOL FORMATION
Relationship Reason:AEROSOL GROWTH IN A STEADY-STATE, CONTINUOUS FLOW CHAMBER: APPLICATION TO STUDIES OF SECONDARY AEROSOL FORMATION85311DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
STRATEGIES FOR ANALYZING POLAR ORGANIC COMPOUNDS IN PM2.5
Relationship Reason:STRATEGIES FOR ANALYZING POLAR ORGANIC COMPOUNDS IN PM2.582705DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
COMPOUND INDICATORS FOR SOA PRECURSORS IN AMBIENT PM2.5
Relationship Reason:COMPOUND INDICATORS FOR SOA PRECURSORS IN AMBIENT PM2.582504DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
IDENTIFICATION OF SECONDARY ORGANIC AEROSOL COMPOUNDS IN AMBIENT PM2.5 SAMPLES
Relationship Reason:IDENTIFICATION OF SECONDARY ORGANIC AEROSOL COMPOUNDS IN AMBIENT PM2.5 SAMPLES82366DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
POLAR ORGANIC OXYGENATES IN PM2.5 AT A SOUTHEASTERN SITE IN THE UNITED STATES
Relationship Reason:POLAR ORGANIC OXYGENATES IN PM2.5 AT A SOUTHEASTERN SITE IN THE UNITED STATES81541DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
A NEW NON-AMBIGUOUS ANALYTICAL TECHNIQUE FOR THE IDENTIFICATION OF AREOSOL OXYGENATED COMPOUNDS
Relationship Reason:A NEW NON-AMBIGUOUS ANALYTICAL TECHNIQUE FOR THE IDENTIFICATION OF AREOSOL OXYGENATED COMPOUNDS72088DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
IMPACT OF ORGANIC COMPOUNDS ON THE CONCENTRATIONS OF LIQUID WATER IN AMBIENT PM2.5
Relationship Reason:IMPACT OF ORGANIC COMPOUNDS ON THE CONCENTRATIONS OF LIQUID WATER IN AMBIENT PM2.565790DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
A NEW NON-AMBIGUOUS ANALYTICAL TECHNIQUE FOR THE IDENTIFICATION OF AEROSOL OXYGENATED COMPOUNDS
Relationship Reason:A NEW NON-AMBIGUOUS ANALYTICAL TECHNIQUE FOR THE IDENTIFICATION OF AEROSOL OXYGENATED COMPOUNDS63057DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
COMPOSITION OF PM2.5 IN RESEARCH TRIANGLE PARK, NORTH CAROLINA, USA DURING THE WINTER OF 2003
Relationship Reason:COMPOSITION OF PM2.5 IN RESEARCH TRIANGLE PARK, NORTH CAROLINA, USA DURING THE WINTER OF 200363051DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
SOA FORMATION FROM THE IRRADIATION OF A-PINENE-NOX IN THE ABSENCE AND PRESENCE OF SULFUR DIOXIDE
Relationship Reason:SOA FORMATION FROM THE IRRADIATION OF A-PINENE-NOX IN THE ABSENCE AND PRESENCE OF SULFUR DIOXIDE62373DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
THERMODYNAMIC MODELING OF LIQUID AEROSOLS CONTAINING DISSOLVED ORGANICS AND ELECTROLYTES
Relationship Reason:THERMODYNAMIC MODELING OF LIQUID AEROSOLS CONTAINING DISSOLVED ORGANICS AND ELECTROLYTES62303DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
COMPUTATIONAL CHEMISTRY METHOD FOR PREDICTING VAPOR PRESSURES AND ACTIVITY COEFFICIENTS OF POLAR ORGANIC OXYGENATES IN PM2.5
Relationship Reason:COMPUTATIONAL CHEMISTRY METHOD FOR PREDICTING VAPOR PRESSURES AND ACTIVITY COEFFICIENTS OF POLAR ORGANIC OXYGENATES IN PM2.562302DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
PM2.5 ORGANIC COMPOSITION FROM SEVERAL SITES IN THE UNITED STATES
Relationship Reason:PM2.5 ORGANIC COMPOSITION FROM SEVERAL SITES IN THE UNITED STATES62122DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
ASSESSMENT OF THE LIQUID WATER CONTENT OF SUMMERTIME AEROSOL IN THE SOUTHEAST UNITED STATES
Relationship Reason:ASSESSMENT OF THE LIQUID WATER CONTENT OF SUMMERTIME AEROSOL IN THE SOUTHEAST UNITED STATES61632DOCUMENT1.0A PRODUCT OF THE PROJECTREVIEWEDPUBLICORDNERL
Project Information:
Progress
:Results of epidemiology studies indicate exposure to PM2.5 is correlated with daily mortality and morbidity rates. However, to date the compounds responsible for the adverse health effects have not been established, which is due in some part to the fact the organic composition of ambient PM2.5 has not been fully characterized. To address this issue, NERL scientists have carried out field studies and smog chamber irradiations to chemically characterize the organic composition of PM2.5. The results of the summertime field study in 2000 showed the PM2.5 concentrations in RTP, NC ranged between 12 and 30 ?g/m3, with an average mass composition of 28% sulfate, 6% nitrate, 12% ammonium, 41% carbon, and 12% liquid water at a relative humidity of 43%. Chemical analyses revealed that as much as 90% of the collected organic fraction was polar in nature. The polar nature of the organic fraction was further supported by the observation that about 20% of the liquid water concentrations was associated with the organic fraction. A wide variety of polar organic compounds were detected by gas chromatography mass spectroscopy (GC-MS) analysis of derivatized samples of PM2.5 extracts. Five secondary organic aerosol compounds, observed in a smog chamber irradiation of an "-pinene/NOx/air mixture and two SOA compounds detected in a toluene/NOx/air mixture, were observed in ambient PM2.5.
A second round of field studies was carried out during the summer and winter of 2003 and additional derivatization methods were used to better identify polar multifunctional compounds and to determine their ambient concentrations. The PM2.5 samples for the summer field study were also analyzed using liquid chromatography mass spectroscopy (LC-MS) and nuclear magnetic resonance (NMR). Additional smog chamber experiments were conducted to measure yields of single aromatic or biogenic hydrocarbons as well as atmospherically relevant mixtures of hydrocarbons. The laboratory and field data will be used to develop and evaluate the science version of a computational chemistry-based science version of the PM chemistry model, an FY04 APM, that is currently being developed.
Relevance
:PM chemistry models for predicting concentrations and chemical compositions of PM2.5 are needed to assess PM2.5 control strategies. Because of the chemical complexity of ambient PM2.5, models must be developed to predict ambient concentrations of water, inorganics, and organics in the aerosols. Under this task, the science version of the model will be developed. After simplification, a regulatory PM chemistry model will be available for air quality models used by EPA and the States to predict ambient concentrations and compositions of PM2.5.
Clients
:OAQPS (Brian Timin, Carey Jang and Neil Frank, National Research Council
Project IDs:
ID Code
:12045
Project type
:OMIS