PhreeqcUsers Discussion Forum

News and updates of PHREEQC => News about PHREEQC => Topic started by: dlparkhurst on November 22, 2017, 08:46:27 PM

Title: Version 3.4.0 has been released
Post by: dlparkhurst on November 22, 2017, 08:46:27 PM
Version 3.4.0 has been released for all PHREEQC programs at the web site https://wwwbrr.cr.usgs.gov/projects/GWC_coupled.

(1) A new capability has been added to PHREEQC to calculate the effect of an electrical field on multicomponent diffusion (electro-migration) with the Nernst-Planck equation. If one of the 2 column end-cell solutions has a potential different from 0 (SOLUTION 0, SOLUTION cells + 1) electro-migration is simulated. For examples of electro-migration, see http://www.hydrochemistry.eu/exmpls/electro_dif.html.

See the RELEASE notes on the PHREEQC page for new capabilities related to electro-migration ftp://brrftp.cr.usgs.gov/pub/charlton/phreeqc/RELEASE.12927.TXT.

(2) A temperature damping factor and two parameters for ionic strength dependence were added for the calculation of the diffusion coefficient of a solute species. This new capability affects the calculation of specific conductance.
 
(3) Added a new database , core10.dat, contributed by Marc Neveu. The database is derived from phreeqc.dat and llnl.dat, with careful data checking, use of SUPCRT for temperature dependence, and addition of molar volumes for pressure dependence. Downloaded July 18, 2017 from the following URL https://github.com/MarcNeveu/IcyDwarf/blob/master/IcyDwarf/PHREEQC-3.1.2/core10.dat. Please see the following report for details: Neveu, Marc, Desch, S.J., and Castillo-Rogez, J.C., 2017, Aqueous geochemistry in icy world interiors: Equilibrium fluid, rock, and gas compositions, and fate of antifreezes and radionuclides, Geochimica et Cosmochimica Acta, v. 212, p. 324-371, http://dx.doi.org/10.1016/j.gca.2017.06.023
 
(4) ColdChem.dat database has been expanded to include sulfate and sulfate salts. The database is described in a new journal article by Toner and Catling: Journal of Chemical & Engineering Data, 2017, http://pubs.acs.org/doi/full/10.1021/acs.jced.7b00265.

(5) Various bug fixes, see ftp://brrftp.cr.usgs.gov/pub/charlton/phreeqc/RELEASE.12927.TXT.