Carbon dioxide capture at the molecular level

文献情報

出版日 2009-07-27

DOI 10.1039/B906912G

インパクトファクター 3.676

著者

Kenji Iida, Daisuke Yokogawa, Atsushi Ikeda, Hirofumi Sato, Shigeyoshi Sakaki

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要旨

Carbon dioxide is recognized as a typical greenhouse gas and drastic reduction of CO2 emissions from industrial process is becoming more and more important in relation to global warming. In fact, the reaction between monoethanolamine (MEA) and CO2 in aqueous solution has been widely used for the removal from flue gases. In this study, the role of the interplay between solvent water and nitrogen (MEA)—carbon (CO2) bond formation is discussed based on the molecular theory using RISM-SCF-SEDD, which is the hybrid method of quantum chemistry of solute and statistical mechanics of solvent.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.