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Merge commit '51e91d4a6b2ace1ddb2318b83d780b5989f67af1'
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9bbf6b76e6
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Version @PHREEQC_VER@: @PHREEQC_DATE@
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Version @PHREEQC_VER@: @PHREEQC_DATE@
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June 1, 2023
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Finalizing a Python version of PhreeqcRM that includes the BMI capabilities.
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Methods are documented in Python style and two test cases are available, one
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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,
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so that, getter arrays are automatically dimensioned to the correct sizes
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May 22, 2023
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May 22, 2023
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@ -10,6 +24,9 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
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eqution, assuming that the A term is small. The fractional contribution can be negative, for
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eqution, assuming that the A term is small. The fractional contribution can be negative, for
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example f_visc("K+") is usually smaller than zero.
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example f_visc("K+") is usually smaller than zero.
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Bug-fix: High T/P water phi became too small. Now limit how small phi of water can be
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so that gas phase has reasonable H2O(g).
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Bug-fix: When -Vm parameters of SOLUTION_SPECIES were read after -viscosity parameters, the
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Bug-fix: When -Vm parameters of SOLUTION_SPECIES were read after -viscosity parameters, the
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first viscosity parameter was set to 0.
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first viscosity parameter was set to 0.
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@ -206,26 +223,6 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
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RM_InitialSolidSolutions2Module(id, solid_solutions);
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RM_InitialSolidSolutions2Module(id, solid_solutions);
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RM_InitialSurfaces2Module(id, surfaces);
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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)
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Jones-Dole equation:
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viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i)
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Parameters SOLUTION_SPECIES definitions are for calculating the B and D terms:
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-viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 0
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b0 b1 b2 d1 d2 d3 tan
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z_i is absolute charge number, m_i is molality of i
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B_i = b0 + b1 exp(-b2 * tc)
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fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions
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D_i = d1 + exp(-d2 tc)
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n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 · m_i)d^3 / (2 + fI), fI is an ionic strength term.
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For details, consult
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Appelo and Parkhurst in prep., for details see subroutine viscosity in transport.cpp
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February 28, 2023
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February 28, 2023
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