Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids

KAYI, HAKAN; YÜKSEL ORHAN, Özge; TANKAL, Hilal; ÖZDOĞAN, TELHAT; ALPER, Erdoğan

Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids

Hilal TANKAL, (Amasya Üniversitesi, Fen Edebiyat Fakültesi, Fizik Bölümü, Amasya, Türkiye)

Özge YÜKSEL ORHAN, (Hacettepe Üniversitesi, Kimya Mühendisliği Bölümü, Ankara, Türkiye)

Erdoğan ALPER, (Hacettepe Üniversitesi, Kimya Mühendisliği Bölümü, Ankara, Türkiye)

Telhat ÖZDOĞAN, (Amasya Üniversitesi, Fen Edebiyat Fakültesi, Fizik Bölümü, Amasya, Türkiye)

Hakan KAYI (Atılım Üniversitesi, Mühendislik Fakültesi, Kimya Mühendisliği Bölümü, Ankara, Türkiye)

Turkish Journal of Chemistry

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Yıl: 2016 Cilt: 40 Sayı: 5 Sayfa Aralığı: 706 - 719 Metin Dili: İngilizce İndeks Tarihi: 29-07-2022

Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids

Öz:

The reaction kinetics of CO2absorption into new carbon dioxide binding organic liquids (CO2BOLs) was com-prehensively studied to evaluate their potential for CO2removal. A stopped- ow apparatus with conductivity detectionwas used to determine the CO2absorption kinetics of novel CO2BOLs 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 modi ed termolecular reaction mechanismfor the reaction of CO2with CO2BOLs was used to calculate the observed pseudo- rst{order rate constant k0(s1)and second-order reaction rate constant k2(m3/kmol.s). Experiments were performed by varying organic base (DBN orTBD) weight percentage in alcohol medium for a temperature range of 288{308 K. It was found that k0increased withincreasing amine concentration and temperature. By comparing using two different CO2BOL systems, it was observedthat the TBD/1-butanol system has faster reaction kinetics than the DBN/1-propanol system. Finally, experimentaland theoretical activation energies of these CO2BOL systems were obtained and compared. Quantum chemical calcula-tions using spin restricted B3LYP and MP2 methods were utilized to reveal the structural and energetic details of thesingle-step termolecular reaction mechanism.

Anahtar Kelime:

Konular: Mühendislik, Kimya

Belge Türü: Makale Makale Türü: Araştırma Makalesi Erişim Türü: Erişime Açık

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APA	TANKAL H, YÜKSEL ORHAN Ö, ALPER E, ÖZDOĞAN T, KAYI H (2016). Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids. , 706 - 719.
Chicago	TANKAL Hilal,YÜKSEL ORHAN Özge,ALPER Erdoğan,ÖZDOĞAN TELHAT,KAYI HAKAN Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids. (2016): 706 - 719.
MLA	TANKAL Hilal,YÜKSEL ORHAN Özge,ALPER Erdoğan,ÖZDOĞAN TELHAT,KAYI HAKAN Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids. , 2016, ss.706 - 719.
AMA	TANKAL H,YÜKSEL ORHAN Ö,ALPER E,ÖZDOĞAN T,KAYI H Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids. . 2016; 706 - 719.
Vancouver	TANKAL H,YÜKSEL ORHAN Ö,ALPER E,ÖZDOĞAN T,KAYI H Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids. . 2016; 706 - 719.
IEEE	TANKAL H,YÜKSEL ORHAN Ö,ALPER E,ÖZDOĞAN T,KAYI H "Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids." , ss.706 - 719, 2016.
ISNAD	TANKAL, Hilal vd. "Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids". (2016), 706-719.

APA	TANKAL H, YÜKSEL ORHAN Ö, ALPER E, ÖZDOĞAN T, KAYI H (2016). Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids. Turkish Journal of Chemistry, 40(5), 706 - 719.
Chicago	TANKAL Hilal,YÜKSEL ORHAN Özge,ALPER Erdoğan,ÖZDOĞAN TELHAT,KAYI HAKAN Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids. Turkish Journal of Chemistry 40, no.5 (2016): 706 - 719.
MLA	TANKAL Hilal,YÜKSEL ORHAN Özge,ALPER Erdoğan,ÖZDOĞAN TELHAT,KAYI HAKAN Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids. Turkish Journal of Chemistry, vol.40, no.5, 2016, ss.706 - 719.
AMA	TANKAL H,YÜKSEL ORHAN Ö,ALPER E,ÖZDOĞAN T,KAYI H Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids. Turkish Journal of Chemistry. 2016; 40(5): 706 - 719.
Vancouver	TANKAL H,YÜKSEL ORHAN Ö,ALPER E,ÖZDOĞAN T,KAYI H Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids. Turkish Journal of Chemistry. 2016; 40(5): 706 - 719.
IEEE	TANKAL H,YÜKSEL ORHAN Ö,ALPER E,ÖZDOĞAN T,KAYI H "Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids." Turkish Journal of Chemistry, 40, ss.706 - 719, 2016.
ISNAD	TANKAL, Hilal vd. "Experimental and theoretical investigation of the reaction between CO2andcarbon dioxide binding organic liquids". Turkish Journal of Chemistry 40/5 (2016), 706-719.