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download pdf version of PhD book - Universiteit Utrecht

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3. Upscaling <strong>of</strong> Adsorbing Solutes; Pore Scale<br />

. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .<br />

f(c) = c and d = wR 0 (3.43)<br />

As a result Equation (3.19) leads to the following macro-scale kinetic adsorption<br />

relationship:<br />

Û i = nk att c i − (1 − n) ρ s k det s i (3.44)<br />

where the kinetic rate coefficients, k att and k det [T −1 ], are defined by<br />

k att = SDi 0<br />

nwR 0<br />

(3.45a)<br />

k det = Di 0<br />

k i D wR 0<br />

(3.45b)<br />

Indeed, if we acknowledge the fact that, for a tube, porosity is unity and the<br />

specific surface area is S = 2 R 0<br />

, Equations (3.45) reduce to<br />

k avg<br />

att = 2D 0<br />

wR 2 0<br />

(3.46a)<br />

k avg<br />

det<br />

= D 0<br />

k i D wR 0<br />

(3.46b)<br />

where superscript avg stands for the averaging method. Recall that w R0 denotes<br />

the radial position <strong>of</strong> a point in the pore where point concentration c i∣ ∣<br />

pore<br />

is equal to average concentration c i (see Equation 3.43). These equations agree<br />

quite well with Equations (3.42) which were obtained through numerical averaging.<br />

In Equations (3.42), if we neglect the dependence on the velocity and the<br />

exponential term and approximate (0.5 + 4.5 k D<br />

R0<br />

) ≈ 4.5 k D<br />

R0<br />

, we obtain the approximation:<br />

k att = 4Di 0<br />

R 2 0<br />

(3.47a)<br />

k det = 2Di 0<br />

k D<br />

R 0<br />

(3.47b)<br />

We notice that the two equation sets, (3.46) and (3.47), are the same if w =<br />

62

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