| |
|
|
|
|
|||
| Version 4.5 | |||
| 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+ has been updated with this newer, higher quality data. The result is that: |
|||||
 |
Over 400 new species have been added to the new database |
||||
|
Over 700 chemical species have been removed from the old database |
||||
|
Over 900 species have been updated with new values |
||||
In addition, we have 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 is a great help for understanding geologic naming conventions, and clarifies the precise chemical context for individual constants. The document is distributed in PDF format (using Acrobat Reader) which allows quick searches for a given species name. |
|||||
| Greater
Versatility with Full Graphical User Interface under Windows
XP/2000/NT/98/95/3.1 |
|||||
| 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 PCO2, total carbonate, or estimate the total carbonate using pH and alkalinity. |
||||
|
Redox Wizard allows you to set the pe or PO2 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. |
||||
|
ERS
Home| MINEQL+
Overview| New Features| |
|||||