ENVIRONMENTAL CHEMISTRY PART 2 ASSOC. PROF. JAN TŘÍSKA ISBE AS CR, ČESKÉ BUDĚJOVICE

DISTRIBUTION OF COMPOUNDS BETWEEN WATER AND AIR HENRY LAW CONSTANT (H) P i = H i. x i P i = y i. P = x i. P i0 H i = y i. P/ x i

FUGACITY (f) dG = VdP = RT dln f Gibbs function dG = VdP = RT dlnP RT dln f = RT dln P f/P = 1

FUGACITY CAPACITY (Z) C = f. Z K12 = C1/C2 = f1.Z1/f2.Z2 = Z1/Z2

FUGACITY CAPACITY (Z) Fugacity capacity for air Z i,G = Fugacity capacity for soil Z i,S = R….....gas constant T temperature in o K oC S......content of organic carbon in soil [%/100] K oC =0.411 K OW K OW.....distribution coefficient octanol-water for given compounds d S density of wet soil [kg/m 3 ] H i Henry law constant for given compound [Pa.m 3.mol]

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

ENVIRONMENTAL MODELLING UNIT WORLD (Mackay, 1979) Surface 1 km 2 (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/m 3 of water) Biota (fishes - 1g/m 3 of water)

EXAMPLE OF COMPOUNDS DISTRIBUTION IN BIOTA

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

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

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

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: ČSN EN ISO (statical method) TEST ON ALGAE (Scenedesmus subspicatus, Selenestrum capricornutum) according ISO 8692 AMES TEST, Salmonella typhimurium TA 98, TA 100

BACTERIAL BIOLUMINISCENCE TEST (Microtox) (Photobacterium phosphoreum)

HACH-LANGE LUMINOMETER

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: ČSN EN ISO (statical method), ČSN EN ISO and ČSN EN ISO (flow method)

TEST ON ALGAE (Scenedesmus subspicatus, Selenestrum capricornutum) according ISO 8692

non toxic 48hEC50 higher than mg·l-1 very weak toxic 48hEC50 in the range of mg·l-1 to mg·l-1 weak toxic 48hEC50 in the range of 100 mg·l-1 to mg·l-1 middle toxic 48hEC50 in the range of 10 mg·l-1 to 100 mg·l-1 strong toxic 48hEC50 in the range of 1 mg·l-1 to 10 mg·l-1 very trong toxic 48hEC50 in the range of 0.1 mg·l-1 až 1 mg.l-1 extremely toxic 48hEC50 less than 0.1 mg·l-1 CLASSIFICATION OF TOXICANTS

FLOW METHODS

BIOMARKERS, BIOINDICATORS FYTOCHELATINS METALLOTHIONEINS NEEDLES MOSSES

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.

ECOLOGICAL RISK ASSESSMENT MONITORED SUBJECTS population of animal or plant species community species ecosystem model region model

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)

ECOLOGICAL RISK ASSESSMENT

EXPOSURE ASSESSMENT PEC(L)/NOEC and PEC(R)/NOEC ≤ 1 PEC(L)/NOEC and PEC(R)/NOEC > 1