A comprehensive multidisciplinary investigation on CO2 capture from diesel engine

Abstract

Climate change and global warming are the visible consequences of the increased amount of carbon dioxide (CO 2 ) in the atmosphere. Among the various sources of anthropogenic CO 2 emission, the diesel engine has a significant contribution. The development of a reliable system to efficiently minimize CO 2 emissions from diesel engines to the safest level is lacking in the open literature. Therefore, a comprehensive multidisciplinary approach has been applied in this paper to investigate the efficacy of the post-combustion carbon capture (PCC) process for the diesel engine. The experiments have been performed on the exhaust of a direct injection diesel engine at five different brake powers with blends of aqueous ammonia (AQ_NH 3 ), monoethanolamine (MEA), N,N-dimethylethanolamine (DMEA), and 1-ethyl-3-methylimidazolium tetrafluoroborate (C 2 mim BF 4 ) ionic liquid (IL) as an absorbent for CO 2 capture. The reaction mechanism of these absorbent with CO 2 are also studied by the geometrical, energetical, MESP, frontier molecular orbitals, and NBO analysis using the first-principles density functional theory (DFT) calculations. The maximum CO 2 absorption efficiency of almost 97% was achieved for the blend consisting of 67% of AQ_NH 3 and 33% of MEA. Moreover, AQ_MEA and blend of AQ_NH 3 , DMEA, and C 2 mim BF 4 ionic liquid showed 96% and 94% CO 2 absorption efficiency, respectively.