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phreeqc3-doc/RELEASE.TXT
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Version @PHREEQC_VER@: @PHREEQC_DATE@ Version @PHREEQC_VER@: @PHREEQC_DATE@
Summary of Basic functions not include in PhreeqcI help:
ADD_HEADING("NewHeading") Append a new heading to the list of -headings defined
in USER_PUNCH. Note: only useful in PhreeqcRM and takes effect
at next RunString, RunFile, or RunCells.
DEBYE_LENGTH Value of the Debye length.
DELTA_H_PHASE("Calcite") Delta H in KJ/mol. If an analytic expression exists,
Delta H is at reaction temperature; otherwise
Delta H at 25 C.
DELTA_H_SPECIES("CaHCO3+") Delta H in KJ/mol. If an analytic expression exists,
Delta H is at reaction temperature, otherwise
Delta H at 25C.
DH_A0(Na+") Debye-Huckel species-specific ion size parameter.
DH_BDOT("Na+") Debye-Huckel species-specific ionic strength coefficient.
DIFF_C("CO3-2") Diffusion coefficient for a species at 25 C.
EOL_NOTAB$ Omits the tab that is normally printed after EOL$.
EQUIV_FRAC("AlX3", 3.0, "X") Equivalent fraction of exchange or surface species.
Second argument is equivalents per mole. Third argument
is exchange or surface name.
ITERATIONS Total number of iterations for the calculation.
NO_NEWLINE$ Omits the new line normally written after printing a USER_PUNCH block.
This function can be used to completely eliminate a line for a cell
(assuming no SELECTED_OUTPUT fields are defined.
SETDIFF_C Sets dw for a species (see SOLUTION_SPECIES), returns
calculated diffusion coefficient at reaction temperature.
SYS("element", count , name$ , Sixth argument is new and determines the sort order,
type$ , moles, 1) 0 sorted by 5th argument, 1, sorted by 3rd argument.
-------------
March 10, 2021
-------------
PHREEQC: New Basic functions return (1) delta H of species,
(2) delta H of a phase, (3) Debye Huckel a0 (species-specific
ion size), and (4) Debye Huckel bdot (species-specific ion
strength coefficient).
DELTA_H_PHASE("Calcite") Delta H in KJ/mol. If an analytic expression exists,
Delta H is at reaction temperature; otherwise
Delta H at 25 C.
DELTA_H_SPECIES("CaHCO3+") Delta H in KJ/mol. If an analytic expression exists,
Delta H is at reaction temperature, otherwise
Delta H at 25C.
DH_A0(Na+") Debye-Huckel species-specific ion size parameter.
DH_BDOT("Na+") Debye-Huckel species-specific ionic strength coefficient.
-------------
March 10, 2021
-------------
PHREEQC: Merged changes from Tony Appelo's version.
Bug fix of removal of Donnan layer calculations when kinetic
reactions are zero in Runge-Kutta calculations.
SIs of phases are now printed with the phase mole transfers
found by INVERSE_MODELING. This is useful for checking that
dissolving and precipitating phases are sub- and
supersaturated, respectively.
Modified the -analytical_expression for calcite in
phreeqc.dat, with data from Ellis (1959) and Plummer and
Busenberg (1982) used in pitzer.dat.
Modified the -analytical_expression for dolomite in
phreeqc.dat and pitzer.dat, using data at 25°C from Hemingway
and Robie (1994) and 50-175°C from Bénézeth et al. (2018), GCA
224, 262-275.
------------- -------------
March 2, 2021 March 2, 2021
@ -135,7 +216,6 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
Sort by 3rd field (name$): Sort by 3rd field (name$):
SYS("element", count , name$ , type$ , moles, 1) SYS("element", count , name$ , type$ , moles, 1)
----------------- -----------------
February 19, 2021 February 19, 2021