Thermal decomposition of 2,2-dichloropropane. A theoretical kinetic study

PAOLO GIOVANNI ZUCCHINI CUEVAS; CABALLERO, NORMA; MARIA EUGENIA TUCCERI

Conferencia; LatinXchem 2023; 2023

The dichloropropane family has a great diversity of industrial uses, mainly as solvents and precursors of other compounds. A theoretical kinetic study of the thermal decomposition of 2,2-dichloropropane in gas phase between 500 and 1000 K was performed. The possible reaction channels were investigated, and transition-state theory was combined with molecular information provided by quantum chemical calculations to derive high-pressure limit rate coefficients.