PHYSICOCHEMICAL PRINCIPLES OF CATALYST SELECTION AND TEMPERATURE PARAMETERS OF BUTADIENE-1,3 SYNTHESIS
Physicochemical principles of selective change of molecule structure by means of resonance transmission of energy from heterogenic catalyst to reagents or products of the reaction of butadiene-1,3 synthesis from ethanol have been formulated in this paper. IR-spectrums of industrial catalysts, reacting molecules of limiting stage and products of the reaction have been determined by means of quantum-chemical calculations. It has been shown that the largest yield of butadiene-1,3 is achieved on the catalysts in vibration spectrums of which the boundary frequency coinciding with vibration frequency of fragments of transforming molecules and desired product is present. Temperature parameters of synthesis have been calculated.