batch_submerged
-batch_submerged [<str:boundary>] <flt:area> [<txt:units>]
The identifier allows for simulating an experimental set-up in which the sample is submerged in water. The concentrations in the surrounding water can be buffered (by a gas phase, titration or soild phases) or change due to leaching from the sample or in-diffusion towards the sample.
The composition of the surrounding solution is defined by SOLUTION linked to the boundary solution numbers defined in the graphical user interface. Other chemical entities (exchange, equilibrium_phases, solid_solutions, kinetics, surface, gas_phase) are linked to the same solution number.At each time step, the aqueous composition is adapted according to the fluxes across the boundary followed by a batch reaction calculation. The chemical properties of the boundary solution can be printed using selected_output and user_punch definitions having a number equal to the solution number.
Two crucial parameters are the volume of the boundary solution that is defined by -water in SOLUTION, and the contact area between the sample and the surrounding area by the variable area.
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boundary |
str: indicating if the top, bottom of both sides of the sample are in contact with a surrounding solution of which the composition changes according to fluxes across the boundary. Values: top, bottom, both. Default: top (if not defined) |
|
area |
flt: contact area |
|
units |
txt: unit of the area. Values: mm, cm, dm, m Default: length unit defined in the graphical user interface. |
Example