download pdf version of PhD book - Universiteit Utrecht
download pdf version of PhD book - Universiteit Utrecht
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8. Numerical scheme<br />
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .<br />
this equation can be rearranged to get<br />
(<br />
1 + ∆tQ )<br />
i<br />
c t+∆t<br />
i − ∆t<br />
V i i<br />
∑<br />
V i<br />
N in<br />
j=1<br />
q ij c t+∆t<br />
ij = c t i (8.9)<br />
we use Equation (8.6) to substitute for c t+∆t<br />
ij in Equation (8.9), and collect<br />
unknown term on the l.h.s. and known terms on r.h.s. to get<br />
where:<br />
Ec t+∆t<br />
i<br />
∑N in<br />
− I<br />
j=1<br />
F c t+∆t<br />
j<br />
∑N in<br />
= c t (<br />
i + I Gc<br />
t t<br />
ij + Hs ) ij (8.10)<br />
E (Nnode ) =1 + ∆tQ i<br />
; I (Nnode ) = ∆t ; F (Ntube ) = 1 V i V i B<br />
G (Ntube ) = q ij<br />
B ; H q ij ∆tα ij<br />
(N tube ) =<br />
B (1 + ∆tα ij )<br />
j=1<br />
q 2 ij ∆t<br />
Note that, through substitution, we end up with Equation (8.10) in which<br />
the number <strong>of</strong> unknowns is N node , concentration in pore bodies (i.e., c t+∆t<br />
i<br />
and c t+∆t<br />
j ). In this way we could decrease the size <strong>of</strong> coefficient matrix by<br />
about 3 times since we don’t need to solve simultaneously for concentration<br />
<strong>of</strong> solute and adsorbed concentration in pore throats in Equation (8.10) (the<br />
number <strong>of</strong> pore throats is much more than the number <strong>of</strong> pore bodies in the<br />
network). After each time step the concentration <strong>of</strong> pore throats and adsorbed<br />
concentrations can be calculated using Equations (8.6) and (8.5), respectively.<br />
V ij<br />
8.3 Numerical scheme; partially saturated conditions<br />
For the case <strong>of</strong> partially saturated conditions, we write formulations for the<br />
most general case, in which solute mass transport occurs through edges <strong>of</strong><br />
drained pore throats and edges <strong>of</strong> drained pore bodies. We divide the volume<br />
<strong>of</strong> a drained pore body into element which we call as “corner unit”. Each corner<br />
unit comprised <strong>of</strong> a corner domain together with half <strong>of</strong> the three neighboring<br />
edges connected to it within the same pore body, as shown in Figure (6.3).<br />
Therefore, in the case <strong>of</strong> cubic pore body, we will have eight corner units.<br />
Thus, we assign eight different concentrations to a drained pore body, one<br />
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