MINTEQA2/PRODEFA2, a geochemical assessment model for environmental systems: Version 3. 0 user's manual

TLDR

Environmental decision makers increasingly focus on pollutant movement into groundwater, especially metal transport and speciation, and MINTEQA2 predicts equilibrium behavior of metals in diverse chemical settings. The report explains how to use the MINTEQA2 model. MINTEQA2 is a geochemical speciation model that computes equilibria among dissolved, adsorbed, solid, and gas phases using an extensive thermodynamic database accessed via the PRODEFA2 interactive program that prepares input files, and the manual details its chemical and mathematical structure and database file format. The manual demonstrates PRODEFA2 and MINTEQA2 through an example dialogue, output files, and error diagnostics.

Abstract

The attention of environmental decision makers is increasingly being focused on the movement of pollutants into ground water. Of particular importance is the transport and speciation of metals. The MINTEQA2 model is a versatile, quantitative tool for predicting the equilibrium behavior of metals in a variety of chemical environments. MINTEQA2 is a geochemical speciation model capable of computing equilibria among the dissolved, adsorbed, solid, and gas phases in an environmental setting. MINTEQA2 includes an extensive database of reliable thermodynamic data that is also accessible to PRODEFA2, an interactive program designed to be executed prior to MINTEQA2 for the purpose of creating the required MINTEQA2 input file. The report describes how to use the MINTEQA2 model. The chemical and mathematical structure of MINTEQA2 and the structure of the database files also are described. The use of both PRODEFA2 and MINTEQA2 are illustrated through the presentation of an example PRODEFA2 dialogue reproduced from interactive sessions and the presentation of MINTEQA2 output files and error diagnostics. The content and format of database files also are explained.