File: README.TXT MINTEQA2 Metal Speciation Equilibrium Model for Surface and Ground Water PRODEFA2 Problem Definition Program for MINTEQA2 Version 4.03 U.S. EPA Release, June 2000 Revised, May 2006 Center for Exposure Assessment Modeling (CEAM) National Exposure Research Laboratory - Ecosystems Research Division Office of Research and Development (ORD) U.S. Environmental Protection Agency (U.S. EPA) 960 College Station Road Athens, Georgia 30605-2700 706/355-8400 _____________________________________________________________________________ CONTENTS INTRODUCTION DOCUMENTATION INSTALLATION SELECTED FILE NAMES AND CONTENT SYSTEM EXECUTION DEVELOPMENT SYSTEM MODIFICATION TECHNICAL HELP CONTACT _____________________________________________________________________________ INTRODUCTION MINTEQA2 is an equilibrium speciation model that can be used to calculate the equilibrium composition of dilute aqueous solutions in the laboratory or in natural aqueous systems. The model is useful for calculating the equilibrium mass distribution among dissolved species, absorbed species, and multiple solid phases under a variety of conditions including a gas phase with constant partial pressures. PRODEFA2, the Problem Definition Program for MINTEQA2, is an interactive program that assists the user in developing and building an input data file for the MINTEQA2 model. _____________________________________________________________________________ DOCUMENTATION Users should obtain and reference the documents listed below to operate and apply the MINTEQA2 model system. Copies of the documents are included within the Internet distribution file INSTALMT.EXE. Document Name(s) File Name(s) ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~~~~~~ MINTEQA2 model system general execution and README.TXT user support guide MINTEQA2 Model System Release Notes RELEASE.TXT MINTEQA2 Model System Abstract ABSTRACT.TXT MINTEQA2 User's Manual USERMANU.PDF "MINTEQA2/PRODEFA2, A Geochemical Assessment Model for Environmental Systems: Version 3.0 User's Manual" MINTEQA2 User's Manual Supplement 1 SUPPLE1.PDF "MINTEQA2/PRODEFA2, A Geochemical Assessment Model for Environmental Systems: User Manual Supplement for Version 4.0" MINTEQA2 User's Manual Supplement 2 SUPPLE2.PDF "Diffuse-Layer Sorption Reactions for use in MINTEQA2 for HWIR Metals and Metalloids" MINTEQA2 Modeling Example Document MMHG&TBT.PDF "Modeling Monomethylmercury and Tributyltin Speciation with EPA’s Geochemical Speciation Model MINTEQA2" Files with a .PDF file name extension are in Adobe Acrobat format and require Adobe Acrobat Reader software available at no charge from http://www.adobe.com/. _____________________________________________________________________________ INSTALLATION The MINTEQA2 installation program is available on the Internet at: http://www.epa.gov/ceampubl/mmedia/minteq/index.htm MINTEQA2 uses an InstallShield installation program to extract and configure the required executable files, data, and documents. To install the MINTEQA2 system: Close all applications and double-click on the installation program "INSTALMT.EXE". Follow the instructions presented by the installation program. After installation, INSTALMT.EXE may be executed to uninstall the MINTEQA2 software. Alternatively, you may uninstall the software using the Windows 'Start > Control Panel > Add or Remove Programs' feature. _____________________________________________________________________________ SELECTED FILE NAMES AND CONTENT After installing MINTEQA2, the files summarized below can be found in the installation directory (InstallDir) of the computer system. \InstallDir\ FRMT.EXE - executable image of the FRMT program. UNFRMT.EXE - executable image of the UNFRMT program. PRODEFA2.EXE - executable image of the PRODEFA2 program. MINTEQA2.EXE - executable image of the MINTEQA2 model. THERMO.UNF - Chemical thermodynamic data base files that provide input to TYPE6.UNF and will be read automatically by the MINTEQA2 model and PRODEFA2 program. These files are unformatted (binary), sequential files. Therefore, do NOT attempt to view, print, or edit these files. THERMO.DBS - Formatted, sequential versions of the THERMO.UNF and TYPE6.UNF TYPE6.DBS chemical thermodynamic data base files. These files are formatted ASCII text (non-binary), sequential files that can be viewed or edited using any editor program that can read and save a file to disk in ASCII text (non-binary) format. *.INP - Thirteen (13) test, input data files to test the installation and demonstrate application of the MINTEQA2 model. To test the installation, execute the MINTEQA2 model using each file as the name of the input file (refer to the SYSTEM EXECUTION section). The model interactively prompts the user for the input and output file names. These data are also furnished to provide instruction by example and can be used as templates for the preparation of a new or modified input sequence. \InstallDir\test_output\ *.OUT - Sample output files produced by executing the model using the input files provided (*.INP). These files were produced by execution of the MINTEQA2 model using each test input data file as described above (*.INP). Note: Small numerical differences between provided output files (*.OUT) and those generated using provided input files (*.INP) exist for some test data sets. See RELEASE.TXT for a summary of these differences. \InstallDir\docs\ *.PDF - User documents summarized in the DOCUMENTATION section above. *.TXT \InstallDir\src\ *.FOR - FORTRAN source code for MINTEQA2, PRODEFA2, and other executable programs. The source code is not needed to run or use the system. It is provided for reference purposes. See the DEVELOPMENT SYSTEM and MODIFICATION sections below for more information. _____________________________________________________________________________ SYSTEM EXECUTION MINTEQA2 and PRODEFA2 are command line applications. Some knowledge of MS-DOS commands is helpful but not required. The installation program creates a shortcut (Start > All Programs > MINTEQA2) which opens a command prompt in the appropriate installation directory. The files MINTEQA2.EXE and PRODEFA2.EXE can be executed using this command prompt. Refer to "Chapter 4. Using MINTEQA2 and PRODEFA2" of the MINTEQA2 user manual (USERMANU.PDF) for detailed instructions on using the system. _____________________________________________________________________________ DEVELOPMENT SYSTEM The following list describes the language and program development tools used by CEAM to build the MINTEQA2 model system. Also shown are the recommended minimum hardware and software configuration for execution of this model system and all related support files and programs. MINTEQA2 Version: 4.03 (Compiled May 2006) Hardware System: Intel CPU or compatible Language: FORTRAN Operating System: MS Windows (95/ME/NT/2K/XP) with console subsystem (COMMAND.COM/CMD.EXE) Compiler: Intel Visual FORTRAN v 9.0. Development Environment: MS Visual Studio 2003 w/ .Net Framework 1.1 Installation Size: Approx. 6 MB _____________________________________________________________________________ MODIFICATION Included with the distribution release are: o executable image files for the MINTEQA2 model system o MINTEQA2 model FORTRAN source code files for IBM PC and compatible microcomputer systems (refer to DEVELOPMENT SYSTEM section). A FORTRAN compiler and link editor are NOT required to execute any portion of the MINTEQA2 model system. If the user wishes to modify any portion of the MINTEQA2 model system, it will be up to the user to supply and/or obtain: o an appropriate text editor that saves files in ASCII text (non-binary) format o FORTRAN program development tools to recompile and link edit the MINTEQA2 model system executable files (*.EXE). The U.S. EPA CEAM cannot support, maintain, and/or be responsible for modifications that change the function of any executable task image file (*.EXE) supplied with this model package. _____________________________________________________________________________ TECHNICAL HELP CONTACT For questions or information concerning the distribution or installation of MINTEQA2 software, documentation, or data please contact CEAM at: Phone: 706-355-8400 Fax: 706-355-8104 E-mail: ceam@epamail.epa.gov Mail: Center for Exposure Assessment Modeling (CEAM) National Exposure Research Laboratory - Ecosystems Research Division U.S. Environmental Protection Agency (U.S. EPA) 960 College Station Road Athens, Georgia 30605-2700 CEAM operates and maintains a listserver system named CEAM-USERS. The CEAM-USERS listserver is an automated mailing list system which broadcasts up-to-date information concerning CEAM software product updates and releases as well as hints on software installation and use. Subscribers may broadcast messages to other list subscribers to ask and answer questions about exposure assessment modeling topics. Instructions for subscribing, posting messages, and managing membership setting are available on the CEAM Web site at the URL: http://www.epa.gov/ceampubl/listserv.htm _____________________________________________________________________________