From d590d398f9829b38bb8ed5642f81a488cb5faa4d Mon Sep 17 00:00:00 2001 From: David Parkhurst Date: Tue, 5 Feb 2019 13:45:02 -0700 Subject: [PATCH 1/2] Fixed gas_phase_mix bug, added test case --- RELEASE.TXT | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/RELEASE.TXT b/RELEASE.TXT index ba606324..7ec7e969 100644 --- a/RELEASE.TXT +++ b/RELEASE.TXT @@ -1,4 +1,10 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@ + ----------------- + February 4, 2019 + ----------------- + + PHREEQC: Fixed bug in MIX_GAS_PHASE. Formula for mixing pressures was incorrect. + ----------------- January 31, 2019 ----------------- From d4070c8a4458d7b3d3d2416a27737297b10245e7 Mon Sep 17 00:00:00 2001 From: David Parkhurst Date: Tue, 5 Feb 2019 23:39:52 -0700 Subject: [PATCH 2/2] Modified RELEASE.TXT for _MIX documentation --- RELEASE.TXT | 33 +++++++++++++++++++++++++++++++++ 1 file changed, 33 insertions(+) diff --git a/RELEASE.TXT b/RELEASE.TXT index 7ec7e969..66aa12d0 100644 --- a/RELEASE.TXT +++ b/RELEASE.TXT @@ -1,10 +1,43 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@ + + ----------------- February 4, 2019 ----------------- PHREEQC: Fixed bug in MIX_GAS_PHASE. Formula for mixing pressures was incorrect. + ----------------- + February 4, 2019 + ----------------- + PHREEQC: A series of new keyword data blocks are available to mix reactants. Input + is parallel to the input for the keyword MIX, which is a series of user number and + fraction pairs. Mixtures can be formed of solutions, exchangers, equilibrium_phases, + gas phases, kinetic reactions, solid solutions, and surfaces. Synonyms of keywords + are in parentheses. + + SOLUTION_MIX (MIX_SOLUTION) + EXCHANGE_MIX (MIX_EXCHANGE) + EQUILIBRIUM_PHASES_MIX (MIX_EQUILIBRIUM_PHASES, EQUILIBRIUM_PHASE_MIX, MIX_EQUILIBRIUM_PHASE) + GAS_PHASE_MIX (MIX_GAS_PHASE) + KINETICS_MIX (MIX_KINETICS) + SOLID_SOLUTIONS_MIX (MIX_SOLID_SOLUTIONS, SOLID_SOLUTIONS_MIX, MIX_SOLID_SOLUTION) + SURFACE_MIX (MIX_SURFACE) + + These _MIX keywords do not invoke any type of speciation or reaction calculation + and mostly involve a summation of moles of the various reactants. Thus, MIX differs + from SOLUTION_MIX in that MIX produces a reaction calculation and a distribution of + species, whereas SOLUTION_MIX does not. The final events of a simulation occur in the + order of RUN_CELLS, _MIX, COPY, DUMP, and DELETE. + + Here is an example of SOLUTION_MIX, which creates a mixture of previously defined + solutions: + + SOLUTION_MIX 2-4 # new solutions 2, 3 and 4: + 1 0.5 # solution number, fraction + 4 1.5 # solution number, fraction + 6 0.3 # etc. + ----------------- January 31, 2019 -----------------