Browsing by Author "Orhan, Ozge Yuksel"

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Citation - WoS: 7
Citation - Scopus: 9
Innovative Carbon Dioxide-Capturing Organic Solvent: Reaction Mechanism and Kinetics
(Wiley-v C H verlag Gmbh, 2017) Orhan, Ozge Yuksel; Tankal, Hilal; Kayi, Hakan; Alper, Erdogan; Chemical Engineering; 06. School Of Engineering; 01. Atılım University
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.
Kinetics of Co₂ Capture by Carbon Dioxide Binding Organic Liquids
(Springer international Publishing Ag, 2016) Orhan, Ozge Yuksel; Kayi, Hakan; Alper, Erdogan; Chemical Engineering; 06. School Of Engineering; 01. Atılım University
[No Abstract Available]
Citation - WoS: 15
Citation - Scopus: 17
Kinetics of Co₂ Capture by Carbon Dioxide Binding Organic Liquids: Experimental and Molecular Modelling Studies
(Elsevier Sci Ltd, 2016) Orhan, Ozge Yuksel; Tankal, Hilal; Kayi, Hakan; Alper, Erdogan; Chemical Engineering; 06. School Of Engineering; 01. Atılım University
In 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.