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Untitled - Technische Universiteit Eindhoven

Untitled - Technische Universiteit Eindhoven

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158 Appendix EAs the saturations, densities and fractions are updated the reaction rate R can becalculated using the equation[] n+1R n+1i = k h (ρ w ) β+γ (ww) T β (w W w ) γ . (E.18)The mass transfer term U follows from the evaluation of the partitioning function (Eq.8.15) and the total TMOS density (Eq. 8.16). In discretized form we haveiwhere E is given by˜ρ n+1total,i = ˜ρn+1 o,i + ˜ρ n+1w,i ,˜ρ eq,n+1o,i = ˜ρ n+1⎡E = exp ⎣ ε 0(total,iEE + 1 ,1 − aw M,n+1w,1R g T) ⎤⎦ .(E.19)(E.20)(E.21)Subsequently, the mass transfer term readsU n+1i =r 2 w[1 +4Dϕ(S −1/2o,i) n+1i](˜ρn+1o,i)− ˜ρ eq,n+1o,i . (E.22)

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