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Article Citation - WoS: 2Citation - Scopus: 3Experimental and Theoretical Investigation of the Reaction Between Co2 and Carbon Dioxide Binding Organic Liquids(Tubitak Scientific & Technological Research Council Turkey, 2016) Tankal, Hilal; Yuksel Orhan, Ozge; Alper, Erdogan; Ozdogan, Telhat; Kayi, HakanThe reaction kinetics of CO2 absorption into new carbon dioxide binding organic liquids (CO(2)BOLs) was comprehensively studied to evaluate their potential for CO2 removal. A stopped-flow apparatus with conductivity detection was used to determine the CO2 absorption kinetics of novel CO(2)BOLs composed of DBN (1,5-diazabicyclo[4.3.0]non-5-ene)/1-propanol and TBD (1,5,7-triazabicyclo[4.4.0]dec-5-ene)/1-butanol. A modified termolecular reaction mechanism for the reaction of CO2 with CO(2)BOLs was used to calculate the observed pseudo-first order rate constant k(0) (s(-1)) and second-order reaction rate constant k(2) (m(3)/kmol.s). Experiments were performed by varying organic base (DBN or TBD) weight percentage in alcohol medium for a temperature range of 288-308 K. It was found that k(0) increased with increasing amine concentration and temperature. By comparing using two different CO2BOL systems, it was observed that the TBD/1-butanol system has faster reaction kinetics than the DBN/1-propanol system. Finally, experimental and theoretical activation energies of these CO2BOL systems were obtained and compared. Quantum chemical calculations using spin restricted B3LYP and MP2 methods were utilized to reveal the structural and energetic details of the single-step termolecular reaction mechanism.Article Citation - WoS: 7Citation - Scopus: 9Innovative Carbon Dioxide-Capturing Organic Solvent: Reaction Mechanism and Kinetics(Wiley-v C H verlag Gmbh, 2017) Orhan, Ozge Yuksel; Tankal, Hilal; Kayi, Hakan; Alper, ErdoganThe 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.
