MINEQL+ Chemical Equilibrium Modeling System

Overview of Features

Windows Vista Ready!

Version 4.6 of MINEQL+ has been completely updated to work under Windows Vista. Previous versions of MINEQL+ used a 16-bit architecture that was more appropriate for Windows 3.1, and while subsequent versions of Windows supported this older standard, Windows Vista does not. Microsoft has made it clear that all of their operating systems from Vista onward will require (at minimum) a 32-bit architecture, like that of MINEQL+ version 4.6.

This is good news for MINEQL+ since it prompted us to bring MINEQL+ into the modern standard. This means:

Ability to use long file names and long folder names
Improved control of printers and other output devices
Easier installations for both administrator and user-levels
Easier configuration within a multi-user environment

Previous Upgrades Include:

Update and Documentation of Thermodynamic Data

The thermodynamic database in MINEQL+ has undergone major revisions. MINEQL+ has always based its thermodyamic data on that of the USEPA's MINTEQA2. In 1999, the EPA revised its thermodynamic database as a means of correcting known errors and providing a better level of referencing literature sources. This newer database reflects a higher level of critical review.

Version 4.5 of MINEQL+ was updated with this newer, higher quality data. The result was:

Over 400 new species were added to the new database
Over 700 chemical species were removed from the old database
Over 900 species were updated with new values

In addition, we cataloged these changes in a 220 page document that shows all literature references as well as the correct chemical equations used for each species. This was a great help for understanding geologic naming conventions, and clarified the precise chemical context for individual constants. The document was distributed in PDF format (using Acrobat Reader) which allowed quick searches for a given species name.

Greater Versatility with Full Graphical User Interface under Windows XP/2000/NT/98/95

Version 4.x of MINEQL+ is the most powerful and stable program yet. It has been redesigned from top to bottom to be easier to learn, and more robust numerically. The output is easier to understand with new reporting features to compile specialized output data quickly and automatically.

Here is a short list of MINEQL+'s new features. This is all in addition to MINEQL+'s standard features that allow you to create your own chemical system with acid/base, redox, or precipitation reactions. Plus it still allows you to manage multiple calculations, extract output data from any perspective, perform synthetic titrations, process field data or any data in text format, run sensitiviy analyses.

pH Wizard allows you to set the pH at a fixed value or have MINEQL+ calculate the pH for you.
pH can now be calculated assuming electroneutrality of the solution or using the total proton concentration
Output now contains pseudo-species for the total dissolved concentration, the total adsorbed concentration, and the total dissolved minus the total adsorbed
Output can be summarized in a number of special reports that perform additional data extraction or additional calculations on the output data. Reports include:

Alkalinity Reports to provide output on total alkalinity, pH and a breakdown of major alkalinity sources.
Totals Report to provide a compilation of total dissolved forms.
Saturation Index Report to provide the SI values for every solid in your system.
Ion Balance Report to provide a complete summary of charge discrepancy for all samples. Great for determining if all ions have been measured in a sample, or if there is significant analytical error.
Summary Report to provide a compilation of all species output for a single run.

Numerical procedures have been improved to solve problems with a very high number of solids and to provide stable starting places for all calculations. Other programs may claim to solve systems with many solids, but often give up when the systems have varied stoichiometry or a high number of chemical components -- in other words: the real world. Only MINEQL+ version 4.x has the technology to solve these systems.

All new user's manual with complete description of numerical procedures and underlying theory. Includes an expanded tutorial of 20 lessons covering basic and advanced topics. The manual is over 300 pages long.
Bulk solids mover allows you to move solid species as a group or individually.
CO₂ Wizard allows you to set the P_CO2, total carbonate, or estimate the total carbonate using pH and alkalinity.
Redox Wizard allows you to set the pe or P_O2 directly.

You can specify individual names for chemical species or have MINEQL+ determine a name.

The output is clearer, with many of the artifacts of the numerical calculation removed, thus making it easier to understand.
You can now open several output tables or graphs at one time. This allows you to compare different views of the same output, or similar views from different output data.
The AutoPilot automates the progression of software tools that are needed to solve a chemical equilibrium problem. This feature is really helpful to new users and can be controlled by setting user preferences.
Personal thermodynamic data can be read by MINEQL+ just like the default data, or you can bypass the default data altogether. You can really tailor the system to your needs
Ionic strength can now be set at a fixed value or be calculated from dissolved species.
Cut and paste features allow you to use the Windows clipboard for transferring data to third party software.