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moved concrete-2005 and renamed to trunk

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12922 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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Scott R Charlton 2017-11-08 23:25:48 +00:00
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RELEASE.TXT
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@ -1,4 +1,69 @@
Version @PHREEQC_VER@: @PHREEQC_DATE@
The effect of an electrical field on multicomponent diffusion (electro-migration) is
calculated with the Nernst-Planck equation if one of the 2 column end-cell solutions has
a potential different from 0 (SOLUTION 0, SOLUTION cells + 1). For examples of electro-
migration, see http://www.hydrochemistry.eu/exmpls/electro_dif.html.
A number of new features have been implemented for electro-migration.
(1) The electric potential can be defined in keyword SOLUTION:
SOLUTION 1
-potential 3 # Volt
(2) The electric current in a column experiment can be defined in keyword TRANSPORT:
TRANSPORT
-current 1e-3 # Ampere
(3) When using -multi_d and -interlayer_d in TRANSPORT, the
porosity for calculating interlayer diffusion is added to the porosity
defined with -porosities or -multi_d. For example:
-porosities 0.3 0.29 0.28 ...
-multi_d true 1e-9 0.3 0.05 1.0 false
-interlayer_d true 0.07 0.01 250
The total porosities will be 0.37, 0.36, 0.35, ... in cells 1, 2, 3, ...
In previous versions, the interlayer porosity was subtracted from the porosity
defined with -multi_d.
(4) If the properties in a regular column (surface areas, lengths, double layers,
tortuosities, diffusion coefficients) are different for the two cells, the harmonic mean
is used for calculating the mass transfer (Appelo et al., 2010, Geochim. Cosmochim. Acta
74, 1201-1219).
(5) The following Basic functions have been added:
CURRENT_A # the current through the column, amps.
POT_V # potential in a cell, volts.
T_SC("Cl-") # The transport- or transference-number of the ion, equal to the
# fraction of the specific conductance contributed by the species(-).
VISCOS # At present, returns the viscosity of a pure water solution, same as
# VISCOS_0, milliPascal second.
VISCOS_0 # Returns the viscosity of a pure water solution at current conditions
# milliPascal second.
(6) A temperature damping factor and two parameters for ionic strength dependence were added for
the calculation of the diffusion coefficient of a solute species:
SOLUTION_SPECIES
H+ = H+
-dw 9.31e-9 763 0.46 1e-10
where the first number is the diffusion coeficient at 25 C, and the second number is a damping
factor for the temperature correction, as proposed by Smolyakov, according to Anderko and Lencka,
1997, Ind. Chem. Eng. Res. 36, 1932–1943:
Dw(TK) = 9.31e-9 * exp(763 / TK - 763 / 298.15) * TK * 0.89 / (298.15 * viscos).
The ionic strength correction is as follows:
Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75)))
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svn 12839
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@ -6,7 +71,13 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
salts. The database is described in a new journal article by Toner and Catling:
Journal of Chemical & Engineering Data, 2017,
http://pubs.acs.org/doi/full/10.1021/acs.jced.7b00265.
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svn 12814
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PHREEQC: Error in dist_x function and in counting of cells for some transport
problems.
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svn 12774
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@ -36,7 +107,6 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
PHREEQC: GAMMA and LG functions were not correct
for exchange species.
Version 3.3.12: May 10, 2017 (svn 12704)
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svn 12702
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@ -112,8 +182,8 @@ Version 3.3.11: March 10, 2017 (svn 12535)
svn 12439
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PHREEQC: Error check that the same element name was not used for
both a SURFACE and EXCHANGEr, which caused a NULL pointer. Some variables in the unknown
structure are now initialized.
both a SURFACE and and EXCHANGEr, which caused a NULL pointer.
Some variables in the unknown structure are now initialized.
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svn 12319
@ -398,7 +468,7 @@ Version 3.3.5 (10806): February 3, 2016
Example code in documentation also had wrong MPI type for some integer transfers.
Integer transfers in Fortran should use MPI_INTEGER, while integer transfers in
C and C++ should use MPI_INT.
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svn 10632
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