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EOH 468
Spring 2009
Atmospheric Pollutants and
Photochemical Smog
Atmospheric pollution
„
Natural
‰
„
Emissions associated with natural
processes
Anthropogenic
‰
Man-caused
Natural air pollution
„
Geogenic sources
‰
‰
‰
Volcanoes
Mineral dusts
Ocean salts
1
Natural air pollution
„
Biogenic sources
‰
‰
‰
Mold spores and pollen
Biological decomposition
Volatile emissions from vegetation
Natural air pollution
„
Atmospheric sources
‰
‰
‰
Electrical storms
Stratospheric intrusion
Photochemical processes
Natural air pollution
„
Significant affects associated with:
‰
‰
‰
‰
Volcanoes
Forest fires
Dust storms
Mold and pollen
2
Natural air pollution
„
Low significance in causing human
health problems because
‰
‰
‰
Exposure levels are low
Sources and human populations are often
distant
Major source emissions are episodic and
transient
Anthropogenic air pollution
„
Smog
‰
Definition-pollutant caused severe visibility
reduction
Smog
„
London-type
„
Los Angeles-type
3
Smog
„
London-type
‰
‰
‰
‰
‰
Has occurred for centuries
Coal smoke mixing with fog
Gray in color
Sulfur odor
Relatively rare in western countries
Smog
„
Los Angeles-type
‰
‰
‰
Photochemically- produced
Associated with motor vehicle emissions
Brown in color
Los Angeles smog
„
Is exacerbated by
‰
‰
‰
‰
Large number of sunny days
Large population of motor vehicles
Topographical limitations on air flow
Frequent subsidence inversions
4
Los Angeles-type smog
„
Is also a problem in
‰
‰
‰
Houston
Denver
Mexico City
Haze
„
„
„
„
Moderate visibility reduction associated
with atmospheric pollutants
Common in many American/European
cities
Broad regional distribution
Can be seen by satellites
Common pollutant concerns
„
„
Gases/vapors
Particles
5
Gases-phase pollutants
„
Include substances
‰
‰
Which exist as gases under ambient
conditions
That are vapors derived from volatile liquids
Particulate pollutants
„
Particles
‰
‰
Include both solid and liquid phases of
matter
Dispersed/suspended in air - aerosols
Particles
„
Aerosols
‰
‰
‰
‰
Fume
Dust
Mist
Photochemical
6
Pollutant sources
„
Primary pollutants
‰
„
Emitted from sources
Secondary pollutants
‰
Produced in the atmosphere
Pollutant sources
„
Classification
‰
‰
‰
‰
Combustion/noncombustion
Stationary/mobile
Point/area
Direct/indirect
Gas-phase pollutants
„
Nature of concern
‰
‰
Thousands of pollutants
Regulated pollutants more limited
7
Gas-phase pollutants
„
Pollutants of concern
‰
‰
‰
‰
‰
‰
Carbon oxides
Sulfur compounds
Nitrogen compounds
Hydrocarbons
Halogenated hydrocarbons
Photochemical oxidants
Carbon monoxide
„
„
„
„
Colorless, odorless, tasteless gas
Historically considered to be major
pollutant
Produced as a result of incomplete
combustion
Produced naturally in the environment
Carbon Monoxide
„
Combustion reactions
8
Carbon monoxide concentrations
„
Urban/suburban levels
‰
‰
‰
Vary from few ppmv to 60 ppmv
Average highs (10-20 ppmv)
Higher concentrations in higher
altitude cities
Carbon monoxide
„
Sink processes
‰
‰
‰
Photochemistry
Soil uptake
Residence time (2 months)
Carbon monoxide
„
Photochemical sink processes
‰
Oxidation by OH
9
Carbon monoxide photochemical
sink processes
„
In the presence of significant NOx
Carbon monoxide photochemical sink
processes
„
„
„
„
„
Produce one O3 per CO oxidized
Regenerate OH radical
Compete with methane for OH
Indirectly increase atmospheric
methane levels
Indirectly increase stratospheric water
vapor levels
Sulfur Compounds
„
Sulfur Oxides
‰
‰
„
Sulfur trioxide (SO3)
Sulfur dioxide (SO2)
Reduced sulfur compounds
10
Sulfur oxides
„
Natural sources
‰
‰
Volcanoes
Oxidation of reduced S compounds
Sulfur oxides
„
Anthropogenic sources
‰
‰
Combustion of S-containing fuels
Smelting of metal ores
Sulfur trioxide
„
„
„
Produced from SO2 oxidation
Rapidly reacts with water
Very short atmospheric lifetime
11
Sulfur Dioxide
„
„
„
„
Colorless, sulfurous odor gas
Major sulfur oxide in the atmosphere
Produced on S oxidation
May be converted to SO3
Direct oxidation processes
Sulfur dioxide concentrations
„
Historical urban one-hour highs
„
Near non-ferrous metal smelters
„
„
100-500 ppbv
1.5-2.3 ppmv
12
Atmospheric reactions
„
„
Sulfur dioxide oxidized in gas & liquid
phase reactions
Direct, photochemical, catalytic
oxidation
Atmospheric reactions
„
Gas phase
‰
‰
‰
Photo-oxidation
Reaction with OH, O3, biradical, O(3P)
Reaction with OH (this is major sink
process)
Atmospheric reactions
„
Reaction with OH
13
Atmospheric reactions
„
Liquid Phase
May be further oxidized to H2SO4
Removal processes
„
„
Aerosol formation by nucleation/
condensation
Sulfuric acid reacts with ammonia
‰
„
„
Forms sulfate salts
SO2 + aerosols removed by wet &
dry deposition processes
SO2 atmospheric lifetime (2-4 days)
Reduced S compounds
„
Include
‰
‰
‰
‰
Hydrogen sulfide (H2S)
Carbonyl sulfide (COS)
Carbon disulfide (CS2)
Dimethyl sulfide (CH3)2S
14
Reduced S compounds
„
Carbonyl sulfide
‰
‰
‰
‰
‰
Most abundant S species in atmosphere
Produced biogenically
Background levels (0.5 ppbv)
Limited reactivity
Atmospheric lifetime ( 44 years)
Nitrogen compounds
„
Gas phase
‰
‰
‰
‰
‰
Nitrogen (N2)
Nitrous oxide (N2O)
Nitric oxide (NO)
Nitrogen dioxide (NO2)
Nitrate radical (NO3)
Nitrogen compounds
„
Gas phase
‰
‰
‰
‰
Dinitrogen pentoxide (N2O5)
Peroxyacyl nitrate (CH3COO2 NO2)
Ammonia (NH3)
Hydrogen cyanide (HCN)
15
Nitrogen compounds
„
Gas/Liquid phase
‰
‰
‰
‰
‰
Nitrous acid (HNO2)
Nitric acid (HNO3)
Nitrite (NO2-)
Nitrate (NO3-)
Ammonium (NH4+)
Nitrous oxide
„
„
„
„
Colorless, slightly sweet non-toxic
gas
Concentration increasing with time
(0.8 ppbv/yr)
Produced biogenically - world’s
oceans
Anthropogenic sources
‰
‰
Soil disturbance
Agricultural fertilizers
Nitrous oxide
„
„
„
„
Atmospheric lifetime of 150 years
Stratosphere is only sink
Important in stratospheric chemistry
May contribute to
‰
‰
Ozone depletion
Global warming
16
Nitric oxide
„
„
Colorless, odorless, relatively nontoxic gas
Natural sources include
‰
‰
‰
Anaerobic biological processes
Combustion processes
Photochemical reactions in
stratosphere
Nitric oxide
„
Anthropogenic sources
‰
‰
‰
Fuel combustion
Product of high temperature combustion
Peak levels associated with transportation
cycle
Diurnal variations in precursors and
photochemical oxidants
17
Nitrogen dioxide
„
„
„
„
Brown colored, relatively toxic gas
Absorbs light
Promotes atmospheric photochemistry
Peak levels occur in mid morning
Nitrogen dioxide
„
Production by chemical reactions
‰
Direct oxidation
‰
Photochemical reactions
NOx concentrations
„
„
„
„
Nitric oxide and NO2 concentrations
reported as NOx
Remote locations : 20-80 pptv
Rural locations : 20 pptv -10ppbv
Urban/suburban areas : 10 ppbv - 1
ppmv
18
Nitrogen oxides sink processes
„
„
Chemical reactions convert
NO to NO2 to HNO3
Major sink process reaction with OH
Nitrogen oxides sink processes
„
Nighttime reactions involving O3
Nitrogen oxides sink processes
„
Other Reactions
19
Nitrogen oxides sink processes
„
„
„
Nitric acid tends to remain in gas phase
Reactions may occur with NH3
Nitrate aerosols removed by wet/dry
deposition
Reduced N compounds
„
Hydrogen Cyanide
‰
„
Background levels (160 pptv)
Ammonia
‰
‰
‰
‰
Produced both bio & geogenically
Background levels (0.1-10 ppbv)
Atmospheric lifetime (6 day)
Neutralizes strong acids
Organic nitrate compounds
„
„
„
Produced as a result of photochemistry
Reactions with HCs and NOx
Important atmospheric pollutants
„
„
Potent eye irritants
Phytotoxic
20
Organic nitrate compounds
„
Peroxy compounds
‰
‰
‰
Peroxyacyl nitrate (PAN)
Peroxypropionyl nitrate (PPN)
Peroxybutyl nitrate (PBN)
Peroxyacyl nitrate
„
Chemical formation
‰
‰
‰
Undergoes thermal degradation
Transported to upper troposphere - lifetime of
months
Carrier of NOx in long range transport
Hydrocarbons
„
„
„
Comprise large number of chemical
substances
Basic structure includes only carbon &
hydrogen covalently bonded
Serves as a base for a number of
derivative compounds
21
Hydrocarbons
„
„
May be straight, chained, branched or
cyclic
May be
‰
‰
Saturated (single bonds, C-C)
Unsaturated (double/triple bonds, C = C)
Hydrocarbons
„
„
Unsaturated HCs more reactive
May be gas, liquid or solid phase
‰
Depends on the number of carbons
Nonmethane hydrocarbons
„
Primary focus of air quality regulation
‰
Sources
„ Biogenic
„ Anthropogenic
22
Nonmethane hydrocarbons
„
Biogenic sources
‰
‰
‰
‰
Trees (isoterpenes, monoterpenes)
Grasslands (light paraffins; higher HCs)
Soils (ethane)
Ocean water (light paraffins, olefins, C9C28 paraffins)
Nonmethane hydrocarbons
„
Anthropogenic emission estimates
‰
‰
‰
40% transportation
32% solvent use
38% industrial manufacturing/fuel
combustion
Photochemical oxidants
„
Produced in chemical reactions
involving:
‰
‰
‰
‰
Sunlight
Nitrogen oxides
Oxygen
Hydrocarbons
23
Photochemical oxidants
„
Include
‰
‰
‰
‰
Ozone
Nitrogen dioxide
Peroxyacyl nitrate
Odd hydrogen compounds (OH, HO2,
H2O2)
Photochemical oxidants
„
„
Ozone the major photochemical oxidant
concern
Atmospheric O3 formation
Tropospheric O3 formation
„
Requires source of O(3P)
„
Nitric oxide quickly destroys O3
24
Nitrogen dioxide photolysis and O3
formation
Tropospheric O3
„
Nitrogen dioxide photolysis results in
little actual net O3 increase
„
Cannot explain much higher levels
present in troposphere
Tropospheric O3 formation
„
„
Effect of peroxy compounds
Peroxy compounds derived from
photochemical oxidation of HCs
25
Tropospheric O3 formation
„
Reactions involving peroxy compounds
Photochemical production of O3
Tropospheric O3 formation
„
„
Rate of O3 formation depends on RO2
available
RO2 produced when OH and HOx react
with HCs
26
Tropospheric O3 formation
„
Formation of OH
Tropospheric O3 formation
„
Concentrations dependent on
‰
‰
‰
‰
Intensity of sunlight
NO2/NO ratios
Reactive HC type and concentration
Concentrations of aldehydes/CO
Tropospheric O3 concentrations
„
Remote Locations (20-50 ppbv,
summer months)
‰
Result from
„
„
„
Photochemical processes
Stratospheric intrusion
Populated locations
‰
Peak concentrations (50 ppbv - 600 ppbv)
27
Tropospheric O3 levels
„
„
In urban areas concentrations decline at
night
In rural areas peak concentrations
occur at night
Rural O3
„
Elevated rural levels associated with
long-range transport
‰
‰
Transport of O3 aloft
Transport of low reactivity paraffins
Ozone sink mechanisms
„
Major sink processes
‰
Photochemical reactions
„
Ozone photodecomposition
ƒ
ƒ
‰
Nitric oxide reaction with O3
Nitrogen dioxide reaction with O3
Surface deposition
28
Range of particle sizes
Particle size
„
Expressed as aerodynamic equivalent
diameter
‰
‰
Reference to a spherical particle of uniform
density that falls at standard velocity
Expressed as Stokes number
Particle size
„
Small particles (< 1 µm aerodynamic
diameter)
‰
Behave as gases
„
„
„
„
Subject to Brownian motion
Follow fluid streamlines
Capable of coagulation
Settle out slowly
29
Particle size
„
Larger particles
‰
‰
‰
Strongly affected by gravity
Settle out more rapidly
Rarely coalesce
Particle size
„
Determines
‰
‰
‰
Atmospheric lifetime
Effectiveness of light scattering
Deposition in human lung
Particle size
„
Relative to numbers present
‰
„
Most particles very small (< 0.1 µm)
Relative to particle mass/volume
‰
Most volume/mass associated with particles > 0.1
µm
30
Particle size distribution
„
„
Characterized as multi-modal
Particle distribution bi-modal based on
particle volume
‰
‰
Larger mode – coarse
Smaller mode - fine
Particle size distribution
„
Tri-modal distribution associated with
motor vehicle traffic
‰
Fine fraction has 2 modes
„
„
Nuclei
Accumulation
Multi-modal particle size
distribution
31
Particle size distribution
„
Coarse particles
‰
‰
Produced by mechanical processes
Size range 2 to 100 µm
Particle size distribution
„
Fine particles
‰
‰
‰
Produced by high energy processes
Have a very high surface area
Have a tendency to grow in size
Fine particles
„
Nuclei mode
‰
‰
‰
Particles smaller than 0.08 µm
Produced from nucleation/condensation of
molecules
Grow in size by agglomeration
32
Fine particles
„
Accumulation mode
‰
‰
Typically in the 0.1-1.0 µm size range
Produced from agglomeration of nuclei
mode particles
Particle classes/sources
„
Primary particles
‰
„
Varied sources
Secondary
‰
‰
Produced from chemical reactions
Produced naturally and anthropogenically
Chemical composition
„
Chemical composition is variable
‰
Affected by
„
„
„
Source
Atmospheric history
May contain dozens of different
substances
33
Chemical composition
„
Major PM components
‰
‰
‰
‰
‰
Organic carbon
Elemental carbon
Nitrate
Sulfate
Crustal elements
Chemical composition
„
„
„
Organic carbon includes wide variety of
substances.
Sulfate levels vary regionally.
Fine particles contain a variety of trace
metals.
Atmospheric concentrations
„
Reported as particle mass/unit volume
‰
‰
‰
Total suspended particles(TSP)
PM 10 – thoracic particles
PM 2.5 – respirable particles
34