From 51e91d4a6b2ace1ddb2318b83d780b5989f67af1 Mon Sep 17 00:00:00 2001 From: Darth Vader Date: Fri, 25 Aug 2023 15:29:54 +0000 Subject: [PATCH] Squashed 'phreeqc3-doc/' changes from ae15b211..12e58e3e 12e58e3e bug fix on Basic functions; minor update to Release.txt git-subtree-dir: phreeqc3-doc git-subtree-split: 12e58e3ec323fb6ce38b4e93c82fb36ad2212a81 --- RELEASE.TXT | 37 +++++++++++++++++-------------------- 1 file changed, 17 insertions(+), 20 deletions(-) diff --git a/RELEASE.TXT b/RELEASE.TXT index 880a075b..72bb4647 100644 --- a/RELEASE.TXT +++ b/RELEASE.TXT @@ -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. + + ----------------- + May 22, 2023 + ----------------- + PhreeqcRM: Revised all F90 methods that return arrays to use allocatable arrays, + so that, getter arrays are automatically dimensioned to the correct sizes + ----------------- May 22, 2023 ----------------- @@ -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); - - ----------------- - April 3, 2023 - ----------------- - 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 ----------------- February 28, 2023