Kinetic Characteristics for Reaction between Trichloroisocyanuric (TCCA) Acid with 2-Chlorobenzylidene Malononitrile (CS)
Abstract
The research experimental results determiningrateconstant of the reaction between TCCA and CS according to Arrhenius equation was studied. Basing the set of graphs showing the relationship between (ln(k) - (1/T)) and (ln (k/T) - (1/T)), the activation energy (Ea) according to the Arrhenius equation and activation enthalpy variation (∆H# ), activationentropy variation (∆S# ), free activation energy Gibss (∆G# ) according to the Eyring equation are determined. The products of TCCA reaction and CS at pH = 9 are2-chloro benzaldehyde oxirane-2,2-dicarbonitrile, 3-(2-chlorophenyl) so predicting the reaction mechanism consists of two reactions taking place in parallel, a hydrolysisand oxidation reactions.
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Introduction
2-chlorobenzylidene malononitrile (CS) is heavily used in the Vietnam War, statistics show that about 9,000 tons of CS were used on the battlefield [1]. Due to being durable, difficult to decompose, it can be found that CS existed since the war in Central and Southern Vietnam.
Conclusion
From the results of the study it can draw the following conclusions:
The reaction between TCCA and CS is consistent with collision theory and activated complex theory.
The reaction between TCCA and CS at 298 K is a pseudo- first-order reaction with kA = 0.0031 (s-1 ), Ea = 57.65 (kJ/mol); ∆H# 298 = 55.13 (kJ/mol); ∆S# 298 = -0.11 (kJ/mol.K); ∆G# 298 = 87.78 (kJ/mol).
The reaction between TCCA and CS includes two parallel reactions that are hydrolysis reaction and oxidation reaction, producing two main products such as 2-chloro benzaldehyde and oxirane-2,2-dicarbonitrile, 3- (2 -chlorophenyl).