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- W1990668441 abstract "The synthesis of an active pharmaceutical ingredient involves the use of the highly unstable compound cyanamide. At temperatures above ambient, cyanamide starts to decompose slowly, so that proper safety testing is needed to facilitate safe use in chemical production. To determine the decomposition behaviour of cyanamide, we used the nonparametric kinetic modelling approach as provided in the Advanced Kinetics and Technology Solutions software package. The model was constructed on the basis of five different DSC runs, each with a different heating rate, and its validity was checked through a comparison of the predicted adiabatic runaway profile with the results of actual adiabatic experiments in the Phi-Tec calorimeter. The simulations and the experiments showed that the consequences of a runaway reaction could be very serious. Since very high concentrations of the starting materials were used in the original recipe for this reaction, the severity of a possible runaway reaction could be decreased considerably through diluting the system with extra solvent (in this case water). Thanks to the high heat capacity of water, a relatively small decrease in concentration had a very significant influence on the maximum heat rate of the runaway reaction, resulting in an inherently safer and yet economically viable process. The detailed kinetic model enabled us to evaluate the impact of different thermal conditions on the decomposition behaviour of the reaction mixture." @default.
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- W1990668441 date "2007-09-22" @default.
- W1990668441 modified "2023-10-16" @default.
- W1990668441 title "Safety Aspects of a Cyanamide Reaction: Inherent Safe Design through Kinetic Modelling and Adiabatic Testing" @default.
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- W1990668441 doi "https://doi.org/10.1021/op700166b" @default.
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