MATERIALS SCIENCE AND CHEMISTRY

Materials Science and Chemistry

Principal Investigator: Wanda Andreoni , Institute of Theoretical Physics, Ecole Polytechnique Federale de Lausanne (Switzerland)

HPC Platform used: JUQUEEN of JSC

Local Project ID: PRA069

The disastrous impact of anthropogenic carbon dioxide (CO2) emissions on the environment is very well known. The most mature technology for post-combustion CO2 capture, currently in use in the chemical industry, exploits a cyclic process, in which CO2 is selectively and reversibly absorbed in an amine (aqueous) solution. However, the operating costs are still too high to allow for large-scale implementation. A large empirical effort is ongoing worldwide primarily to reduce the high energy penalty required for amine regeneration and to increase the rate of CO2 absorption into the solvent.