The April issue of the ACS Journal of Chemical Information and Modeling features a cover story from Xavier Rozanska, Erich Wimmer of Materials Design, and Frédérick de Meyer of Total S.E. The paper, “Quantitative Kinetic Model of CO2 Absorption in Aqueous Tertiary Amine Solvents,” presents an accurate computational approach identifying tertiary amines for CO2 capture. The paper describes a computational approach that captures the subtleties of the mechanisms governing the rate of CO2 absorption, thus allowing quantitative predictions.
Total is committed to environmentally responsible and sustainable processes such as CO2 capture. By using advanced molecular and materials modeling technologies in combination with focused experiments, Total is gaining a faster route to innovation. The computations are now being used in the design of new solutions for CO2 capture.
View the abstract.
Watch the webinar presented by Frédérick de Meyer