A Thermodynamic Properties Estimation Method for Isocyanates

Will Meyerriecks

ABSTRACT: The accurate estimation of the adiabatic flame temperature is necessary when evaluating a composite propellant. This in turn requires additional formulation and properties data including the reactant percentages, chemical formulas, and formation enthalpies, where the latter is sometimes difficult to obtain. When experimental data is not available, one must use estimation methods. The estimation method or its software implementation may not completely describe all components or properties of interest, however. This is often the case with isocyanates. The author has assembled thermodynamic data for a variety of isocyanates and, from this, has derived Benson Group values that may be used in estimating isocyanate properties when experimental data is unavailable. Application of these estimates and their effect on th estimation of the adiabatic flame temperature is considered.

Keywords: isocyanate, diisocyanate, urethane, enthalpy of formation, Benson group, estimation, adiabatic flame temperature


Ref: JPyro, Issue 6, 1997, pp43-56
(J6_43)

© Journal of Pyrotechnics and CarnDu Ltd



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