Executive Summary : | The utilization of captured CO2 as a feedstock for chemical production is a significant step towards a circular economy. Hydrogenation to methanol is a popular route for CO2 utilization, as it serves as a liquid fuel, hydrogen carrier, and chemical feedstock. Traditional Cu-based catalysts for CO2 reduction to methanol have poor methanol selectivity, making methanol yield unsatisfactory for single-pass commercial processes. In2O3-based catalysts offer higher selectivity and high stability. Density Functional Theory (DFT)-based microkinetic analyses provide deep insights into kinetic pathways for methanol formation and structure activity correlations. Validated kinetic models are crucial for developing better catalysts and optimizing reaction systems for high methanol yield. This project proposes a combination of experimental and computational investigations to develop a validated DFT-based microkinetic model for methanol synthesis from CO2 on In2O3-based catalysts and optimize lab-scale reactor systems for high methanol yield. The project also aims to develop two processes for CO2 utilization, tailored to site demand and requirements. |