Reaction Network Analysis of the Ruthenium?Catalyzed Reduction of Carbon Dioxide to Dimethoxymethane

Due to the growing interest in dimethoxymethane (DMM) as formaldehyde synthon and fuel additive, new more efficient routes toward analog are being investigated. One approach is reductive transformation of carbon dioxide using a ruthenium phosphine catalyst Lewis acid additive methanol. In present work, we investigated underlying reaction network, consisting several intermediates, equilibria side products, through situ IR spectroscopy. We determined rate constants activation parameters for hydrogenation steps. Their temperature-dependent differences can be used influence product selectivity this catalysis. To favor DMM formation, acetalization equilibrium especially amount water formed were identified promising optimization opportunities. Simulation concentration profiles on basis proposed kinetic model enables prediction experimental distributions various parameters, demonstrating power network analysis process optimization.