Phreeqc version 3 download

The specific conductance and the density of a solution are calculated and printed in the output file. In addition to Runge-Kutta integration, a stiff ordinary differential equation solver CVODE has been included for kinetic calculations with multiple rates that occur at widely different time scales.

The composition of the electrical double layer of a surface can be estimated by using the Donnan approach, which is more robust and faster than the alternative Borkovec-Westall integration. Multicomponent diffusion, diffusion in the electrostatic double layer on a surface, and transport of colloids with simultaneous surface complexation have been added to the transport module.

Solution isotopic data can be input in conventional units for example, permil, percent modern carbon, or tritium units and the numbers are converted to moles of isotope by PHREEQC. The isotopes are treated as individual components they must be defined as individual master species so that each isotope has its own set of aqueous species, gases, and solids. The isotope-related keywords allow calculating equilibrium fractionation of isotopes among the species and phases of a system.

The calculated isotopic compositions are printed in easily readable conventional units. New keywords and options facilitate the setup of input files and the interpretation of the results. These keywords facilitate the use of IPhreeqc, which is a module implementing all PHREEQC version 3 capabilities; the module is designed to be used in other programs that need to implement geochemical calculations; for example, transport codes.

Charting on Linux requires installation of Wine. Results of transport simulations can be plotted against distance or time. Data can be added to a chart from tab-separated-values files. It provides data entry screens for most keyword data blocks with a description of each input data item.

The interface allows input to be defined, simulations run, output viewed, and charts generated. An input tree allows all the keyword input for multiple files to be viewed and selected for running or editing. Output methods provide a table of user-selected model results, such as concentrations, activities, saturation indices, or densities. Next Previous Top.