Quick Start Pages- for basic calculations
New users please follow the steps below to configure the program and to run a simple case.
Default settings for new cases are 1e-4 for convergence criterion and 50 for iterations. Geochem assumes that the reactions occur at 25 degrees celsius and 1 atmosphere pressure.
Click on any of the blue hyperlinks for more information on a particular topic.
1-When the interface is first opened it will ask you to name the case. Do so, if this is a new case. Otherwise, one can also go to File on the menu bar and open an existing Geochem-PC "Dat" file or load a Geochem-EZ "GEO" file. By default, all the files are located in the "My Data" folder.
2- Open "Options" on the menu bar and choose Configure. Enter the default directories for data, templates, metal / ligand database, and salts database. There is no need to do this everytime, just when using the program initially and for changing default options.
3- When creating a new case (no existing template) one can begin to add salts, metal, or ligand from the drop down box. If the desired salt does not exist in the salts database and one wants to add to it, then one can go to "Edit" on the menu bar and choose " Create a new salt". Alternatively, one can add the salt as the metal and the ligand. Continue adding the salts. If more space is needed, then click on the "Add more salts, metals, or ligands" button at the bottom of the Geochem-EZ interface.
4 and 5-Enter the units and concentration of the salt, metal, or ligand that is being included in the calculation.
6- Enter the pH of the solution.
7- Enter a guess of the ionic strength. A guess of 0.010 is appropriate.
8- Choose whether Geochem-EZ will allow precipitates, imposed phases, or none at all. See Solids Help file for more information on this topic.
9- Convergence Criterion - a degree of precision selected by the user. Geochem-EZ sets 0.01% (1e-4) as the program default.
10- Add your name and any comments. This is optional and will not affect the program function.
11- To see the results of the calculation click on the Run Case button. Modify your case, as necessary, deleting any of the output tables that are shown. Save the input and output files when you finish with the calculations. See also: Output Tables, for more information.
12- If one wants to run another case, varying some of the parameters (pH, concentrations, etc.) with respect to the first one, then Click on "Add Another Case". Another tab will be added, which the user can name. Geochem-EZ requires that all of the salts, metals, and ligands in the first case be present in all the other cases.
13- Help Menu Bar - three options- Help files, a Unit Converter, and a dictionary of salts, metals, and ligands in the database and their respective abbreviations. Need more assistance? Want to learn about the Advanced Options? Use the Geochem-EZ Help files which are accessed on the menu bar.