The development of accurate chemical interaction matrices can provide valuable information for the management of potential chemical reactivity hazards. SuperChems, a component of Process Safety Office, provides intuitive and easy to use utilities for the rapid development of chemical interaction matrices. These utilities were developed based on known heuristics and rules for the interaction of certain chemical groupings. SuperChems also provides additional utilities for the calculation of energy release and stoichiometry of one or more chemical reactions using detailed multiphase chemical equilibrium algorithms and reacting flow dynamics. In addition to thermo-physical and transport properties databanks, SuperChems provides hazards databanks where chemical groupings and other reactivity and toxicity data are available for approximately three thousand chemicals. Of particular interest is version 8.5 of the hazards databanks, released in March of 2018.
Details pertaining to how SuperChems constructs a chemical interaction matrix are included in the SuperChems reactivity expert framework. This technical note will focus on how to best use the SuperChems utilities and on best practices for how to quickly develop accurate chemical interaction matrices. The reader is also directed to an earlier white paper on the development of chemical interaction matrices using SuperChems published by ioKinetic. These two references are provided as attachments to this technical note. Generally, three easy steps are required to develop a chemical interaction matrix.
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