Abstract

Here an overview is given for the Chemical Reaction Analysis and Modeling System, CRAMS. This computer software system is designed to answer any question and process data for reaction models with any combination of rate and equilibrium reactions. Its essential characteristics are: 1. The interface supports a chemistry-like language that is similar to the conventional “shorthand” that is used by chemists. 2. Within the available memory there are no restrictions on either the complexity or size of the reaction model. 3. It has a PREDICTIVE facility that can be used to determine which parameters must be specified. 4. There are no prior assumptions about the chemistry or mathematics of the systems studied. Data collected on disparate time scales can be used; and there is an automatic Error Detection and Corrective Action, EDCA, system that ensures the accuracy of all computed numeric results. 5. There are pre- and post-processing facilities that permit entry of raw data and displays of selected information in a variety of ways.

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