BUILDING A SURFACE COLUMN

["George Moncure" <hydro-geo@xxxxxxxxx>]

Dr. Parkhurst,

 

In the ADVECTI0N example 11, an equilibrium a defined solution was used for a defined exchange column.  Instead, I wish to generate the column (Sufrace in this case) as well as the equilib solution in it during the first Simulation(s), rather than specifying them.  THen I wish to let a different water "pass through it".

 

I have done such discretely on a single 1 L volume (or cell) to my satisfaction.  But because a column concept is more appropriate, as many as 100 or 200 cells may be needed.  I decided that ADVECTION would be appropriate but do not know how to:

 

(1)  specify a Solution (say Solution 1) that reacts inside a cell(s) and generates solids and an equilibrium solution then specify re-identify that SOLUTION 1, REACTION 1, EQUILIBRIUM PHASES 1, SURFACE 1 are reassigning Solution, Phases, and Surface to the 50 column cells, such as Solution 1-50 - they already "own" the name "1"

 

(2)  or better yet, generate the column using the same Solution, Reaction, Phases, and Surface by chaining in one step such as:

 

SOLUTION 0                                groundwater

SOLUTION 1-4                              groundwater

(defined)

REACTION 1-4                              FeSO4 dissolving into solution

(reaction defined)

EQUILIBRIUM PHASES 1-4          Fe(OH)3 and others

(list of phases etc)

SURFACE 1-4                              Hfo

(surfaces and characteristics)

 

but this does not work as planned.

 

(3)  Since the column is an aquifer and chemicals to make the Surfaces are to be injected by well, there is a dynamic element that would be nice to consider in another model - reactions will occur closest to the well first, chromatographically.

 

Obviously I am not clear how to shape my model concepts in terms of PHREEQC's functions.

 

Do you have an example or suggestions?

 

Thanks for you help,

 

George Moncure