Browsing by Author "Tankal, Hilal"
Now showing 1 - 3 of 3
- Results Per Page
- Sort Options
Article Citation Count: 2Experimental and theoretical investigation of the reaction between CO2 and carbon dioxide binding organic liquids(Tubitak Scientific & Technological Research Council Turkey, 2016) Kayı, Hakan; Yuksel Orhan, Ozge; Alper, Erdogan; Ozdogan, Telhat; Kayi, Hakan; Chemical EngineeringThe 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 Count: 7Innovative Carbon Dioxide-Capturing Organic Solvent: Reaction Mechanism and Kinetics(Wiley-v C H verlag Gmbh, 2017) Kayı, Hakan; Tankal, Hilal; Kayi, Hakan; Alper, Erdogan; Chemical EngineeringThe 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.Article Citation Count: 16Kinetics of CO2 capture by carbon dioxide binding organic liquids: Experimental and molecular modelling studies(Elsevier Sci Ltd, 2016) Kayı, Hakan; Tankal, Hilal; Kayi, Hakan; Alper, Erdogan; Chemical EngineeringIn the scope of this work, new carbon dioxide binding organic liquids (CO(2)BOLs) were developed and kinetic parameters in terms of pseudo first-order rate constants for homogenous reaction between CO2 and CO(2)BOLs in 1-hexanol were obtained by using stopped-flow method with conductivity detection. As an amidine DBN (1,5-diazabicyclo[4.3.0]non-5-ene) and as a guanidine TBD (1,5,7-triazabicyclo[4.4.0]dec-5-ene) and BTMG (2-tert-butyl-1,1,3,3-tetramethylguanidine) were investigated. Experiments were performed by varying organic base (amidine or guanidine) weight percentage in 1-hexanol medium for a temperature range of 288-308 K. A modified termolecular reaction mechanism was used to analyse the experimental kinetic data. In addition, quantum chemical calculations by using B3LYP, MP2 and CCSD methods were performed to reveal the structural and energetic details of the single step termolecular reaction mechanism. Experimental and theoretical activation energies for these novel carbon dioxide capturing organic liquids were also unveiled. (C) 2016 Elsevier Ltd. All rights reserved.