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The determination of compatibility via thermal analysis and mathematical modeling
Author(s) -
Hofelich T. C.,
Frurip D. J.,
Powers J. B.
Publication year - 1994
Publication title -
process safety progress
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.378
H-Index - 40
eISSN - 1547-5913
pISSN - 1066-8527
DOI - 10.1002/prs.680130409
Subject(s) - truck , hazardous waste , experimental data , mixing (physics) , heat transfer , process engineering , environmental science , computer science , engineering , thermodynamics , waste management , mathematics , automotive engineering , statistics , physics , quantum mechanics
New regulations in 1991 (HM‐183) have required that materials may not be coshipped in the same cargo tank motor vehicle if, as a result of their mixing “…an unsafe condition would occur, such as an explosion, fire, excessive increase of pressure or heat or the release of toxic vapors.” In order to determine the potential hazards resulting from inadvertent mixing which would result in a hazardous condition, a technically sound evaluation procedure was needed which was reasonably accurate as well as time and cost effective. This required both thermodynamic (heat and/or pressure released) and kinetic parameters (is the energy released immediately or does it take a day, week, month etc.?). A model has been developed using the SimuSolv A Trademark of the Dow Chemical Co. computer program and Microsoft's EXCEL™ spreadsheet which combines the kinetics and thermodynamics for a reaction with the heat transfer parameters for a given tanker truck. Real heat loss data were then obtained for a typical compartmentalized tanker truck for use in the model. The rates and enthalpies for reaction input can be taken from ARC, DSC, or literature data. Since a very large number of binary combinations of potentiai mixtures are possible, materials were grouped according to chemical functionality. A model compound was chosen to represent each functional group. These materials were chosen to best represent the worst‐case reactivity of the group, unimpeded by steric or other factors. A single material/formulation could be classified into more than one grouping. Representative data were complied from experimental studies (Mixing calorimetry, ARC, DSC, etc.) and a wide variety of internal and external literature sources. Where outside sources described a potential incompatibility between groups, the data were gathered on model compounds and input into the model to determine pertinent compatibility. A compatibility chart was constructed for the resulting potential binary mixtures based upon these results.