diff --git a/phreeqc3-doc/RELEASE.TXT b/phreeqc3-doc/RELEASE.TXT index d663071f..436415e3 100644 --- a/phreeqc3-doc/RELEASE.TXT +++ b/phreeqc3-doc/RELEASE.TXT @@ -1,5 +1,75 @@ -Version @PHREEQC_VER@: @PHREEQC_DATE@ +Version @PHREEQC_VER@: @PHREEQC_DATE@ + ----------------- + June 24, 2018 + ----------------- +PHREEQC: +Made the solid solution calculation with the Pitzer-model similar to the numerical +derivatives used in ion-association calculations. + +Bug-fix for porosities, which could be set incorrectly when porosities were not +defined in TRANSPORT simulations with more cells than before. + +Modified the diffusion properties for (possible) boundary cells in stagnant +calculations with enhanced transport through a Donnan layer. In version 3.4.2, +the harmonic mean of all the diffusional properties was introduced for all the +stagnant cells. However, many models use cell 3 and cell [2 + stagnant cells] +as outer, well-mixed reservoir solutions, and diffusion is then determined by +the properties of the boundary cells in the column (similar to the regular column, +where cells 0 and [cells + 1] are well-mixed). If cells 3 and [2 + stagnant cells] +are without a surface with a Donnan layer, they are taken as well-mixed now. + +Thus: +--cell 3 without donnan layer, cell 4 with a donnan layer: diffusion is determined +by the properties of cell 4. + +--cell 3 without donnan layer, cell 4 without a donnan layer: diffusion is determined +by the harmonic mean of the properties of cells 3 & 4. + +PHREEQC's choice can be manipulated, adding a surface with a very small number of sites +and a tiny Donnan layer in cell 3 and/or the cells it diffuses into, and similar +for cell [2 + stagnant cells]. See example opa_col3.phr (http://www.hydrohemistry.eu). + + +A Donnan layer on SURFACEs can now be calculated with the Pitzer database. + +Bug-fixes for option -numerical_derivatives in KNOBS, setting it true may +improve convergence of donnan layer calculations +(for example, try it in http://www.hydrochemistry.eu/exmpls/membrane.phr). +Overall iterations (this is, all the calls to CLI in a reaction step) are +printed in the output file if different from the iterations in the final set. +It can be USER_PRINTED/PUNCHED with the variable 'iterations'. + +Streamlined the output of -debug_prep in KNOBS. Added options +-debug_mass_balance (total moles of elements), and -debug_mass_action +(species data: log_k, dz, reaction stoichiometry). + +The numbers in the matrix for CLI can be inspected in +my_array[row * (count_unknowns + 1) + col]. + + + + + ----------------- + May 1, 2018 + ----------------- + PhreeqcRM: Added new methods to retrieve log10 activity coefficients + of aqueous species: GetSpeciesLog10Gammas(lg) (C++) and + RM_GetSpeciesLog10Gammas(lg) (C++ and Fortran). + See documentation of PhreeqcRM in download distributions + + ----------------- + April 28, 2018 + ----------------- + PHREEQC: Fixed bugs and inconsistencies (between RK and CVODE) when using + REACTION and KINETICS simultaneously. + + ----------------- + April 28, 2018 + ----------------- + DATABASE: Updated to latest version of core10.dat by Marc Neveu, which fixed + a couple errors in the database. + ----------------- March 9, 2018 -----------------