A mathematical model of catalyst combination design and temperature control in the preparation of C4 olefins through ethanol coupling

Abstract

The preparation of C₄ olefins through ethanol catalytic coupling is a crucial area of study. According to the experimental data obtained by a chemical laboratory for different catalysts at different temperatures, three mathematical models were developed to provide insights into the relationships among ethanol conversion rate, C₄ olefins selectivity, yield, catalyst combination, and temperature. The first model is a nonlinear fitting function that analyses the relationships among ethanol conversion rate, C₄ olefins selectivity, and temperature under varying catalyst combinations. Two-factor analysis of variance was employed to determine the influence of catalyst combinations and temperatures on ethanol conversion rate and C₄ olefins selectivity. The second model is a multivariate nonlinear regression model that describes the relationships among the yield of C₄ olefins, catalyst combination, and temperature. Finally, an optimization model was derived based on the experimental conditions; it provides a solution for the selection of the optimal catalyst combinations and temperatures to achieve the maximum yield of C₄ olefins. This work has significant implications for the field of chemistry and the production of C₄ olefins.