Theoretical study on the mechanism of epoxy cured with tryptophan in the presence of 2,4,5-triphenylimidazole as a catalyst

Publication year: 2011 Source: Computational and Theoretical Chemistry, Available online 28 September 2011 Ahmad Motahari, Abdollah Omrani, Abbas Ali Rostami The mechanism of the curing reaction between ethylene oxide as a typical epoxy function and tryptophan as an environmentally friendly curing agent was investigated by density functional theory (DFT). A transition state was identified in order to determine the activation energy for a specific reaction. The reaction energy (ΔH) for different steps was calculated after optimization of the reactants and products.

Publication year: 2011 Source: Computational and Theoretical Chemistry, Available online 28 September 2011 Ahmad Motahari, Abdollah Omrani, Abbas Ali Rostami The mechanism of the curing reaction between ethylene oxide as a typical epoxy function and tryptophan as an environmentally friendly curing agent was investigated by density functional theory (DFT). A transition state was identified in order to determine the activation energy for a specific reaction. The reaction energy (ΔH) for different steps was calculated after optimization of the reactants and products.

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Theoretical study on the mechanism of epoxy cured with tryptophan in the presence of 2,4,5-triphenylimidazole as a catalyst

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