Innovative Carbon Dioxide-Capturing Organic Solvent: Reaction Mechanism and Kinetics

YÜKSEL ORHAN Ö., Tankal H., KAYI H., Alper E.

CHEMICAL ENGINEERING & TECHNOLOGY, vol.40, no.4, pp.737-744, 2017 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 40 Issue: 4
  • Publication Date: 2017
  • Doi Number: 10.1002/ceat.201600206
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.737-744
  • Keywords: CO2-binding organic liquid, Desorberless CO2 capture, Guanidine, Termolecular reaction, MOLECULAR-ORBITAL METHODS, AQUEOUS-SOLUTIONS, CO2 ABSORPTION, 2-AMINO-2-METHYL-1-PROPANOL, APPROXIMATION, SYSTEMS, BLENDS, AMINES
  • Ankara University Affiliated: No


The reaction rates of CO2 with an innovative CO2-capturing organic solvent (CO2COS), consisting of blends of 2-tert-butyl-1,1,3,3-tetramethylguanidine (BTMG) and 1-propanol, were obtained as function of BTMG concentration and temperature. A stopped-flow apparatus with conductivity detection was used. The reaction was modeled by means of a modified termolecular reaction mechanism which resulted in a second-order rate constant, and activation energies were calculated for a defined temperature range. Quantum chemical calculations at the B3LYP/6-31G(d) level also produced the activation energy of this reaction system which strongly supports the experimental findings.