Updated RELEASE.TXT

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David Parkhurst 2019-06-05 20:31:49 -06:00
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Version @PHREEQC_VER@: @PHREEQC_DATE@
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May 31, 2019
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PHREEQC: A new option for TRANSPORT invokes an implicit method for
multicomponent diffusion-only systems. In multicomponent diffusion,
each aqueous species diffuses according to its individual diffusion
coefficient. The new method allows greater time steps and thus speeds
the overall calculation. There is one parameter for the implicit
method, which is the maximum mixing factor (max_mixf) that is allowed,
max_mixf = D * delta_t / delta_x^2. The default value of max_mixf = 1,
but it can be increased often to > 4 (depending on the required
accuracy and the chemistry of the system), with possible speedups of
about an order of magnitude relative to the default method. If max_mixf
is too large, calculations may not converge. With implicit true,
electro-migration calculations are more stable and usually (possibly)
avoid disturbing warnings of 'negative moles'. The implicit
calculations have been implemented for a regular (equally spaced)
column, not for stagnant cells, and not for interlayer diffusion.
TRANSPORT
-implicit true 2.0
The activity-coefficient effect for multicomponent diffusion was
modified, previous versions could give an erroneously large correction.
The column boundary cells 0 and count_cells + 1 are now
print-/punched by default when the boundary condions are not
'closed'.
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May 7, 2019
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PHREEQC: Added Alkalinity to iso.dat. Added error message if Alkalinity is
missing for inverse modeling.
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February 4, 2019