download pdf version of PhD book - Universiteit Utrecht
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8.1 Introduction<br />
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cluded that a parabolic velocity pr<strong>of</strong>ile in pore throats must be implemented<br />
to get a good agreement for a wide range <strong>of</strong> Peclet number.<br />
In applying equations <strong>of</strong> mass balance to simulate solute transport, usually pore<br />
scale mixing is assumed within each network element. Different definitions <strong>of</strong><br />
network element have been used in literature. The choice commonly depends<br />
on the process under consideration as well as computational load. Acharya<br />
et al. [2005a] modeled porous medium with a network <strong>of</strong> pore-units, as the<br />
network element. Each pore unit comprised <strong>of</strong> pore bodies and bonds <strong>of</strong> finite<br />
volume. Such a pore-unit was assumed to be a mixing cell with steady state flow<br />
condition [Sun, 1996, Suchomel et al., 1998b, Acharya et al., 2005a]. By solving<br />
the mixing cell model for each pore unit and averaging the concentrations for<br />
a large number <strong>of</strong> pore units as a function <strong>of</strong> time and space, the dispersivity<br />
was calculated.<br />
Li et al. [2006b] considered pore bodies as network elements to simulate reactive<br />
transport within porous media. They have simulated reactive transport by<br />
applying the mass balance equation which accounted for advection, diffusion<br />
between adjacent pores, and reaction in each pore. Considering the network<br />
domain as a REV, the reaction rates from network models were compared to<br />
rates from continuum scale models, that use uniform concentrations, to examine<br />
the scaling behavior <strong>of</strong> reaction kinetics.<br />
Commonly the similarity between numerical and physical dispersion is used to<br />
represent dispersion in porous media. The numerically generated dispersion<br />
is a function <strong>of</strong> time step. Such a dispersion could be analyzed by fitting<br />
the numerical solution to the Taylor’s expansion [Sun, 1996, Suchomel et al.,<br />
1998b].<br />
To solve the transport equation within pore network, Suchomel et al. [1998b]<br />
used a finite-difference approximation to the one-dimensional transport problem<br />
in each pore. They discretized the space within each individual pore throat<br />
to calculate mass transfer within a given pore. They have used upwind explicit<br />
finite-difference method to discretize the advection term. This scheme is numerically<br />
diffusive. They have used such a numerical diffusion to represent<br />
physical diffusion. Through comparison with Taylor expansion, they have calculated<br />
numerical dispersion due to scheme approximations.<br />
In this chapter we use a deterministic approach by applying equations <strong>of</strong> mass<br />
balance to each network element to simulate reactive/adsorptive transport under<br />
(partially-) saturated conditions. Under saturated conditions we use pore<br />
bodies and pore throats, both with finite volumes, as network elements. How-<br />
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