ENVIRONMENTAL CHEMISTRY PART 2

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ENVIRONMENTAL CHEMISTRYPART 2

• ASSOC. PROF. JAN TRÍSKA
• ISBE AS CR, CESKÉ BUDEJOVICE

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DISTRIBUTION OF COMPOUNDS BETWEEN WATER AND
AIRHENRY LAW CONSTANT (H)
Pi Hi . xi
Pi yi . P xi . Pi0
Hi yi . P/ xi
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FUGACITY (f)
dG VdP RT dln f
Gibbs function
dG VdP RT dlnP
RT dln f RT dln P
f/P 1
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FUGACITY CAPACITY (Z)
C f . Z
K12 C1/C2 f1.Z1/f2.Z2 Z1/Z2
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FUGACITY CAPACITY (Z)
Fugacity capacity for air Zi,G
Fugacity capacity for soil Zi,S
R.....gas constant T..........temperature in
oK oCS......content of organic carbon in soil
/100 KoC.......0.411 KOW KOW.....distribution
coefficient octanol-water for
given compounds dS........ density of wet soil
kg/m3 Hi ........Henry law constant for given
compound Pa.m3.mol
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FUGACITY CAPACITY (Z)
Z is like C (heat capacity) At
equilibrium, all phases will have same fugacity
(temperature) C (heat capacity)
amount of heat (energy in J/unit
volume)/Temperature Z amount of chemical
(moles per unit volume)/fugacity
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ENVIRONMENTAL MODELLING

• UNIT WORLD (Mackay, 1979)
• Surface 1 km2 (water depth 10 m, 70 of area)
• Soil (depth 15 cm, 30 of area)
• Air (height 6 000m)
• Sediment (depth 3 cm, 70 of area)
• Sedimented particles (5g/m3 of water)
• Biota (fishes - 1g/m3 of water)

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EXAMPLE OF COMPOUNDS DISTRIBUTION IN BIOTA
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ECOLOGICAL RISK ASSESSMENT(Regulation of
Ministry of Environment No. 306/1998 Sb.)

• GENERAL INFORMATION
• name of the compound (IUPAC, CAS)
• synonyms
• purity
• impurities
• summary formula
• structural formula
• member of the chemical group
• state
• identification of the author of data
• amount of the compound (higher than 1000 t)
• means of usage
• the possibilities of disposal

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ECOLOGICAL RISK ASSESSMENT

• PHYSICO - CHEMICAL PROPERTIES
• melting point
• boiling point
• density
• vapour pressure
• log Kow
• water solubility
• flash point
• inflammability
• explosiveness
• oxidative properties
• additional data

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ECOLOGICAL RISK ASSESSMENT

• COMPOUND FATE AND TRANSPORTATION
• stability
• fotogedradation
• stability ve water
• monitoring data
• distribution in exposed compartments
• biodegradation
• bioaccumulation
• additional data

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EKOTOXICITY

• BACTERIAL BIOLUMINISCENCE TEST (Microtox)
  (Photobacterium phosphoreum)
• TEST ON CRUSTACEANS (Daphnia magna according ISO
  6341)
• TEST OF PHYTOTOXICITY (Sinapsis alba according
  OECD 208)
• TEST ON FISHES (Poecilia reticulata and
  Brachydanio
• rerio according ISO norms CSN EN ISO 7346-1
  (statical method)
• TEST ON ALGAE (Scenedesmus subspicatus,
  Selenestrum capricornutum) according ISO 8692
• AMES TEST, Salmonella typhimurium TA 98, TA 100

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BACTERIAL BIOLUMINISCENCE TEST (Microtox)
(Photobacterium phosphoreum)
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HACH-LANGE LUMINOMETER
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TEST ON CRUSTACEANS (Daphnia magna according ISO
6341)
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TEST OF PHYTOTOXICITY (Sinapsis alba according
OECD 208)
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TEST ON FISHES (Poecilia reticulata and
Brachydanio rerio according ISO norms CSN
EN ISO 7346-1 (statical method), CSN EN ISO
7346-2 and CSN EN ISO 7346-3 (flow method)
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TEST ON ALGAE (Scenedesmus subspicatus,
Selenestrum capricornutum) according ISO 8692
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CLASSIFICATION OF TOXICANTS

• non toxic 48hEC50 higher than 10 000 mgl-1
• very weak toxic 48hEC50 in the range of 1 000
  mgl-1 to 10 000
• mgl-1
• weak toxic 48hEC50 in the range of 100 mgl-1 to
  1 000 mgl-1
• middle toxic 48hEC50 in the range of 10 mgl-1
  to 100 mgl-1
• strong toxic 48hEC50 in the range of 1 mgl-1 to
  10 mgl-1
• very trong toxic 48hEC50 in the range of 0.1
  mgl-1 až 1 mg.l-1
• extremely toxic 48hEC50 less than 0.1 mgl-1

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FLOW METHODS
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BIOMARKERS, BIOINDICATORS

• FYTOCHELATINS
• METALLOTHIONEINS
• NEEDLES
• MOSSES

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AMES TEST The indicator strains of Salmonella
typhimurium used in the test are mutants in the
genes for biosynthesis of the amino acid
histidine. Hence, this amino acid must be added
to the cultivation medium. In the course of the
test back mutations induced by the tested
mutagens are going on, causing a change of
phenotype and induction of revertants colonies.
An important property of the Ames testing system
is, that it allows a metabolic activation in
vitro using the microsomal fraction S9 of rat
liver. In this way a biological proof of
indirectly acting chemical mutagens (promutagens)
can be given.
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ECOLOGICAL RISK ASSESSMENT

• MONITORED SUBJECTS
•   population of animal or plant species
• community species
• ecosystem model
• region model

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ECOLOGICAL RISK ASSESSMENT

• EVALUATION OF DOSE RESPONSE RELATION   (NOEC)
• estimation of the likely local concentration
  PEC (L) (emission inventory, monitoring, models)
• estimation of the likely regional concentration
  PEC (R) (mass transfer balance)

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ECOLOGICAL RISK ASSESSMENT
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ECOLOGICAL RISK ASSESSMENT

• EXPOSURE ASSESSMENT
• PEC(L)/NOEC and PEC(R)/NOEC 1
• PEC(L)/NOEC and PEC(R)/NOEC gt 1