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환경부 과제
Jon A. Arnot, et al. SETAC PRESS, 2008.
BCF: Chemical exposure from water under controlled laboratory conditions
BAF: Chemical exposure from water and diet as occurs in the environment
Although the routes of exposure differ, both endpoints depend on the same chemical elimination processes (gill ventilation, fecal egestion, metabolic biotransformation, and growth dilution).
QSAR, mechanistic mass balance bioaccumulation models of organisms and food webs를 사용하여 진행해야함.
Mass balance method를 통해 k_M값을 추정함.
$k_\mathrm{total} := k_\mathrm{physical} + k_\mathrm{M}$
$\Leftrightarrow k_\mathrm{M} = k_\mathrm{total} - k_\mathrm{physical}$
Cf = 3이라면 예상되는 k_M 값이 추정값의 1/3~3배 사이에 있을 확률이 95%라는 것.
일단, BCF, k_T, half-life data를 다양한 곳에서 모음.
$k_\mathrm{M, N} = k_\mathrm{M,i}\left(\frac{W_\mathrm{N}}{W_\mathrm{i}}\right)^{-0.25}\exp[0.01(T_\mathrm{N}-T_\mathrm{i})]$
W_N = 0.01 kg, T_N = 15°C
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