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Merge commit '51e91d4a6b2ace1ddb2318b83d780b5989f67af1'

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Darth Vader 2023-08-25 15:29:55 +00:00
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phreeqc3-doc/RELEASE.TXT
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@ -1,5 +1,19 @@
Version @PHREEQC_VER@: @PHREEQC_DATE@
-----------------
June 1, 2023
-----------------
Finalizing a Python version of PhreeqcRM that includes the BMI capabilities.
Methods are documented in Python style and two test cases are available, one
of which uses every Python method that is available.
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May 22, 2023
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PhreeqcRM: Revised all F90 methods that return arrays to use allocatable arrays,
so that, getter arrays are automatically dimensioned to the correct sizes
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May 22, 2023
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@ -9,6 +23,9 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
Actually, it gives the contribution of the species to the B and D terms in the Jones-Dole
eqution, assuming that the A term is small. The fractional contribution can be negative, for
example f_visc("K+") is usually smaller than zero.
Bug-fix: High T/P water phi became too small. Now limit how small phi of water can be
so that gas phase has reasonable H2O(g).
Bug-fix: When -Vm parameters of SOLUTION_SPECIES were read after -viscosity parameters, the
first viscosity parameter was set to 0.
@ -205,26 +222,6 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
RM_InitialSolutions2Module(id, solutions);
RM_InitialSolidSolutions2Module(id, solid_solutions);
RM_InitialSurfaces2Module(id, surfaces);
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April 3, 2023
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The viscosity of multi-species solutions is calculated with a (modified)
Jones-Dole equation:
viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i)
Parameters SOLUTION_SPECIES definitions are for calculating the B and D terms:
-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 0
b0 b1 b2 d1 d2 d3 tan
z_i is absolute charge number, m_i is molality of i
B_i = b0 + b1 exp(-b2 * tc)
fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions
D_i = d1 + exp(-d2 tc)
n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 · m_i)d^3 / (2 + fI), fI is an ionic strength term.
For details, consult
Appelo and Parkhurst in prep., for details see subroutine viscosity in transport.cpp
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February 28, 2023