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ENVIRONMENTAL CHEMISTRY PART 2

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. FUGACIT Y (f). dG = VdP = RT dln f. Gibbs function.

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ENVIRONMENTAL CHEMISTRY PART 2

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  1. ENVIRONMENTAL CHEMISTRYPART 2 ASSOC. PROF. JAN TŘÍSKA ISBE AS CR, ČESKÉ BUDĚJOVICE

  2. DISTRIBUTION OF COMPOUNDS BETWEEN WATER AND AIRHENRY LAW CONSTANT(H) Pi = Hi . xi Pi = yi . P = xi . Pi0 Hi = yi . P/ xi

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

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

  5. FUGACITY CAPACITY (Z) Fugacity capacity for air Zi,G = Fugacitycapacityforsoil 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]

  6. 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

  7. 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)

  8. EXAMPLE OF COMPOUNDS DISTRIBUTION IN BIOTA

  9. 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

  10. 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

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

  12. 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 7346-1 (statical method) TEST ON ALGAE (Scenedesmus subspicatus, Selenestrum capricornutum) according ISO 8692 AMES TEST, Salmonella typhimurium TA 98, TA 100

  13. BACTERIAL BIOLUMINISCENCE TEST (Microtox) (Photobacterium phosphoreum)

  14. HACH-LANGE LUMINOMETER

  15. TEST ON CRUSTACEANS (Daphnia magna according ISO 6341)

  16. TEST OF PHYTOTOXICITY (Sinapsis alba according OECD 208)

  17. TEST ON FISHES (Poecilia reticulata and Brachydanio rerio according ISO norms: ČSN EN ISO 7346-1 (statical method), ČSN EN ISO 7346-2 and ČSN EN ISO 7346-3 (flow method)

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

  19. CLASSIFICATION OF TOXICANTS • non toxic 48hEC50 higher than 10 000 mg·l-1 • very weak toxic 48hEC50 in the range of 1 000 mg·l-1 to 10 000 • mg·l-1 • weak toxic 48hEC50 in the range of 100 mg·l-1 to 1 000 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

  20. FLOW METHODS

  21. BIOMARKERS, BIOINDICATORS • FYTOCHELATINS • METALLOTHIONEINS • NEEDLES • MOSSES

  22. AMES TEST The indicator strains of Salmonella typhimurium used in the test are mutantsin 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 revertantscolonies. 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.

  23. ECOLOGICAL RISK ASSESSMENT MONITOREDSUBJECTS population of animal or plant species community species ecosystem model region model

  24. 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)

  25. ECOLOGICAL RISK ASSESSMENT

  26. ECOLOGICAL RISK ASSESSMENT EXPOSURE ASSESSMENT PEC(L)/NOEC and PEC(R)/NOEC ≤ 1 PEC(L)/NOEC and PEC(R)/NOEC > 1

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