Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Computational Studies on the Reaction between Monoethanolamine and Nitrogen Oxides

  • Shim, Jae-Goo (Global Environment Research Group, Environment & Structure Laboratory, Korea Electric Power Research Institute) ;
  • Kim, Jun-Han (Global Environment Research Group, Environment & Structure Laboratory, Korea Electric Power Research Institute) ;
  • Jhon, Young H. (Department of Chemistry, Soongsil University) ;
  • Kim, Jae-Heon (Department of Chemistry, Soongsil University)
  • Published : 2009.12.20
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References

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  15. As a $CO_2$ absorption process using alkanolamine operates at 40 ~$60{^{\circ}C}$, the reaction between $NO_2\;and\;H_2O$ was calculated at $50{^{\circ}C}\;and\;25{^{\circ}C}$ respectively. The energies were almost the same, with ‒.0.46 kcal/mol at $50{^{\circ}C}$, and ‒.0.43 kcal/mol at $25{^{\circ}C}$. In a real $CO_2$-absorption process, amines are used as an aqueous solution. As it is, $NO_2$ elimination may take place competitively by amines and water.
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